data_5565 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5565 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for porcine MSP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-10-30 _Entry.Accession_date 2002-10-30 _Entry.Last_release_date 2002-10-30 _Entry.Original_release_date 2002-10-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Iren Wang . . . . 5565 2 Yuan-Chao Lou . . . . 5565 3 Kuen-Phon Wu . . . . 5565 4 Shih-Hsiung Wu . . . . 5565 5 Wen-Chang Chang . . . . 5565 6 Chinpan Chen . . . . 5565 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5565 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 394 5565 '15N chemical shifts' 97 5565 '1H chemical shifts' 603 5565 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2003-09-28 . original author 'original release' 5565 1 . . 2004-09-22 . update author 'addition of chemical shifts' 5565 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5565 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Disulfide pairings and structure of porcine beta-microseminoprotein ; _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Iren Wang . . . . 5565 1 2 Yuan-Chao Lou . . . . 5565 1 3 Kuen-Phon Wu . . . . 5565 1 4 Shih-Hsiung Wu . . . . 5565 1 5 Wen-Chang Chang . . . . 5565 1 6 Chinpan Chen . . . . 5565 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MSP 5565 1 NMR 5565 1 'Na+,K+-ATPase inhibitor' 5565 1 PSP94 5565 1 beta-microseminoprotein 5565 1 structure 5565 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MSP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MSP _Assembly.Entry_ID 5565 _Assembly.ID 1 _Assembly.Name 'porcine MSP' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5565 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'porcine MSP' 1 $MSP . . . native . . . . . 5565 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 2 2 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . . . 5565 1 2 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 39 39 SG . . . . . . . . . . . . 5565 1 3 disulfide single . 1 . 1 CYS 34 34 SG . 1 . 1 CYS 70 70 SG . . . . . . . . . . . . 5565 1 4 disulfide single . 1 . 1 CYS 37 37 SG . 1 . 1 CYS 46 46 SG . . . . . . . . . . . . 5565 1 5 disulfide single . 1 . 1 CYS 61 61 SG . 1 . 1 CYS 84 84 SG . . . . . . . . . . . . 5565 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MSP abbreviation 5565 1 'porcine MSP' system 5565 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MSP _Entity.Sf_category entity _Entity.Sf_framecode MSP _Entity.Entry_ID 5565 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name beta-microseminoprotein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QCYFIPNQSLKPNECQDLKG VSHPLNSVWKTKDCEECTCG QDAISCCNTAAIPTGYDTNK CQKILNKKTCTYTVVEKKDP GKTCDVTGWVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . BMRB 7243 . beta-microseminoprotein . . . . . 100.00 94 100.00 100.00 1.14e-45 . . . . 5565 1 . . BMRB 7304 . beta-microseminoprotein . . . . . 100.00 91 100.00 100.00 1.14e-45 . . . . 5565 1 . . PDB 1XHH . 'Solution Structure Of Porcine Beta-Microseminoprotein' . . . . . 100.00 91 100.00 100.00 1.14e-45 . . . . 5565 1 . . PDB 2IZ4 . 'Solution Structure Of Human And Porcine Beta- Microseminoprotein' . . . . . 100.00 94 100.00 100.00 1.14e-45 . . . . 5565 1 . . GenBank AAB50711 . 'PSP94-like protein [Sus scrofa]' . . . . . 100.00 111 98.90 100.00 7.92e-46 . . . . 5565 1 . . REF NP_999017 . 'beta-microseminoprotein [Sus scrofa]' . . . . . 100.00 111 98.90 100.00 7.92e-46 . . . . 5565 1 . . SWISS-PROT O02826 . 'Beta-microseminoprotein precursor (Prostate secreted seminal plasma protein) (Prostate secretory protein PSP94) (PSP-94) (TS507)' . . . . . 100.00 111 98.90 100.00 7.92e-46 . . . . 5565 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MSP abbreviation 5565 1 beta-microseminoprotein common 5565 1 'sperm motility inhibitor' variant 5565 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLN . 5565 1 2 . CYS . 5565 1 3 . TYR . 5565 1 4 . PHE . 5565 1 5 . ILE . 5565 1 6 . PRO . 5565 1 7 . ASN . 5565 1 8 . GLN . 5565 1 9 . SER . 5565 1 10 . LEU . 5565 1 11 . LYS . 5565 1 12 . PRO . 5565 1 13 . ASN . 5565 1 14 . GLU . 5565 1 15 . CYS . 5565 1 16 . GLN . 5565 1 17 . ASP . 5565 1 18 . LEU . 5565 1 19 . LYS . 5565 1 20 . GLY . 5565 1 21 . VAL . 5565 1 22 . SER . 5565 1 23 . HIS . 5565 1 24 . PRO . 5565 1 25 . LEU . 5565 1 26 . ASN . 5565 1 27 . SER . 5565 1 28 . VAL . 5565 1 29 . TRP . 5565 1 30 . LYS . 5565 1 31 . THR . 5565 1 32 . LYS . 5565 1 33 . ASP . 5565 1 34 . CYS . 5565 1 35 . GLU . 5565 1 36 . GLU . 5565 1 37 . CYS . 5565 1 38 . THR . 5565 1 39 . CYS . 5565 1 40 . GLY . 5565 1 41 . GLN . 5565 1 42 . ASP . 5565 1 43 . ALA . 5565 1 44 . ILE . 5565 1 45 . SER . 5565 1 46 . CYS . 5565 1 47 . CYS . 5565 1 48 . ASN . 5565 1 49 . THR . 5565 1 50 . ALA . 5565 1 51 . ALA . 5565 1 52 . ILE . 5565 1 53 . PRO . 5565 1 54 . THR . 5565 1 55 . GLY . 5565 1 56 . TYR . 5565 1 57 . ASP . 5565 1 58 . THR . 5565 1 59 . ASN . 5565 1 60 . LYS . 5565 1 61 . CYS . 5565 1 62 . GLN . 5565 1 63 . LYS . 5565 1 64 . ILE . 5565 1 65 . LEU . 5565 1 66 . ASN . 5565 1 67 . LYS . 5565 1 68 . LYS . 5565 1 69 . THR . 5565 1 70 . CYS . 5565 1 71 . THR . 5565 1 72 . TYR . 5565 1 73 . THR . 5565 1 74 . VAL . 5565 1 75 . VAL . 5565 1 76 . GLU . 5565 1 77 . LYS . 5565 1 78 . LYS . 5565 1 79 . ASP . 5565 1 80 . PRO . 5565 1 81 . GLY . 5565 1 82 . LYS . 5565 1 83 . THR . 5565 1 84 . CYS . 5565 1 85 . ASP . 5565 1 86 . VAL . 5565 1 87 . THR . 5565 1 88 . GLY . 5565 1 89 . TRP . 5565 1 90 . VAL . 5565 1 91 . LEU . 5565 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLN 1 1 5565 1 . CYS 2 2 5565 1 . TYR 3 3 5565 1 . PHE 4 4 5565 1 . ILE 5 5 5565 1 . PRO 6 6 5565 1 . ASN 7 7 5565 1 . GLN 8 8 5565 1 . SER 9 9 5565 1 . LEU 10 10 5565 1 . LYS 11 11 5565 1 . PRO 12 12 5565 1 . ASN 13 13 5565 1 . GLU 14 14 5565 1 . CYS 15 15 5565 1 . GLN 16 16 5565 1 . ASP 17 17 5565 1 . LEU 18 18 5565 1 . LYS 19 19 5565 1 . GLY 20 20 5565 1 . VAL 21 21 5565 1 . SER 22 22 5565 1 . HIS 23 23 5565 1 . PRO 24 24 5565 1 . LEU 25 25 5565 1 . ASN 26 26 5565 1 . SER 27 27 5565 1 . VAL 28 28 5565 1 . TRP 29 29 5565 1 . LYS 30 30 5565 1 . THR 31 31 5565 1 . LYS 32 32 5565 1 . ASP 33 33 5565 1 . CYS 34 34 5565 1 . GLU 35 35 5565 1 . GLU 36 36 5565 1 . CYS 37 37 5565 1 . THR 38 38 5565 1 . CYS 39 39 5565 1 . GLY 40 40 5565 1 . GLN 41 41 5565 1 . ASP 42 42 5565 1 . ALA 43 43 5565 1 . ILE 44 44 5565 1 . SER 45 45 5565 1 . CYS 46 46 5565 1 . CYS 47 47 5565 1 . ASN 48 48 5565 1 . THR 49 49 5565 1 . ALA 50 50 5565 1 . ALA 51 51 5565 1 . ILE 52 52 5565 1 . PRO 53 53 5565 1 . THR 54 54 5565 1 . GLY 55 55 5565 1 . TYR 56 56 5565 1 . ASP 57 57 5565 1 . THR 58 58 5565 1 . ASN 59 59 5565 1 . LYS 60 60 5565 1 . CYS 61 61 5565 1 . GLN 62 62 5565 1 . LYS 63 63 5565 1 . ILE 64 64 5565 1 . LEU 65 65 5565 1 . ASN 66 66 5565 1 . LYS 67 67 5565 1 . LYS 68 68 5565 1 . THR 69 69 5565 1 . CYS 70 70 5565 1 . THR 71 71 5565 1 . TYR 72 72 5565 1 . THR 73 73 5565 1 . VAL 74 74 5565 1 . VAL 75 75 5565 1 . GLU 76 76 5565 1 . LYS 77 77 5565 1 . LYS 78 78 5565 1 . ASP 79 79 5565 1 . PRO 80 80 5565 1 . GLY 81 81 5565 1 . LYS 82 82 5565 1 . THR 83 83 5565 1 . CYS 84 84 5565 1 . ASP 85 85 5565 1 . VAL 86 86 5565 1 . THR 87 87 5565 1 . GLY 88 88 5565 1 . TRP 89 89 5565 1 . VAL 90 90 5565 1 . LEU 91 91 5565 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5565 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MSP . 9823 . . 'Sus scrofa' Pig . . Eukaryota Metazoa Sus scrofa . . . . . . . . . . . . . 5565 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 5565 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MSP . 'recombinant technology' . . . . . . . . . . . . . . . . 5565 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5565 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 beta-microseminoprotein '[U-13C; U-15N]' . . 1 $MSP . . 1.5 1.0 1.5 mM . . . . 5565 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5565 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 0.2 n/a 5565 1 temperature 310 1 K 5565 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5565 _Software.ID 1 _Software.Type . _Software.Name XWINNMR _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5565 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5565 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5565 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 600 . . . 5565 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5565 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5565 1 2 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5565 1 3 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5565 1 4 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5565 1 5 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5565 1 6 HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5565 1 7 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5565 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5565 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 5565 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 5565 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5565 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Shift_set_1 _Assigned_chem_shift_list.Entry_ID 5565 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N HSQC' 1 $Sample_1 . 5565 1 2 '1H-15N NOESY' 1 $Sample_1 . 5565 1 3 '1H-15N TOCSY' 1 $Sample_1 . 5565 1 4 '1H-13C NOESY' 1 $Sample_1 . 5565 1 5 HN(CO)CA 1 $Sample_1 . 5565 1 6 HN(CO)CACB 1 $Sample_1 . 5565 1 7 HNCO 1 $Sample_1 . 5565 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN HA H 1 4.37 0.2 . 1 . . . . . . . . . 5565 1 2 . 1 1 1 1 GLN HB2 H 1 2.25 0.2 . 2 . . . . . . . . . 5565 1 3 . 1 1 1 1 GLN HB3 H 1 2.08 0.2 . 2 . . . . . . . . . 5565 1 4 . 1 1 1 1 GLN HG2 H 1 2.36 0.2 . 2 . . . . . . . . . 5565 1 5 . 1 1 1 1 GLN HG3 H 1 2.19 0.2 . 2 . . . . . . . . . 5565 1 6 . 1 1 1 1 GLN HE21 H 1 7.57 0.2 . 2 . . . . . . . . . 5565 1 7 . 1 1 1 1 GLN HE22 H 1 6.72 0.2 . 2 . . . . . . . . . 5565 1 8 . 1 1 1 1 GLN C C 13 175.95 0.2 . 1 . . . . . . . . . 5565 1 9 . 1 1 1 1 GLN CA C 13 55.87 0.2 . 1 . . . . . . . . . 5565 1 10 . 1 1 1 1 GLN CB C 13 28.61 0.2 . 1 . . . . . . . . . 5565 1 11 . 1 1 1 1 GLN CG C 13 33.05 0.2 . 1 . . . . . . . . . 5565 1 12 . 1 1 1 1 GLN NE2 N 15 111.95 0.2 . 1 . . . . . . . . . 5565 1 13 . 1 1 2 2 CYS H H 1 8 0.2 . 1 . . . . . . . . . 5565 1 14 . 1 1 2 2 CYS HA H 1 5.61 0.2 . 1 . . . . . . . . . 5565 1 15 . 1 1 2 2 CYS HB2 H 1 2.83 0.2 . 2 . . . . . . . . . 5565 1 16 . 1 1 2 2 CYS HB3 H 1 2.47 0.2 . 2 . . . . . . . . . 5565 1 17 . 1 1 2 2 CYS C C 13 172.83 0.2 . 1 . . . . . . . . . 5565 1 18 . 1 1 2 2 CYS CA C 13 54.8 0.2 . 1 . . . . . . . . . 5565 1 19 . 1 1 2 2 CYS CB C 13 47.47 0.2 . 1 . . . . . . . . . 5565 1 20 . 1 1 2 2 CYS N N 15 118.15 0.2 . 1 . . . . . . . . . 5565 1 21 . 1 1 3 3 TYR H H 1 8.69 0.2 . 1 . . . . . . . . . 5565 1 22 . 1 1 3 3 TYR HA H 1 4.71 0.2 . 1 . . . . . . . . . 5565 1 23 . 1 1 3 3 TYR HB2 H 1 2.96 0.2 . 1 . . . . . . . . . 5565 1 24 . 1 1 3 3 TYR HB3 H 1 2.96 0.2 . 1 . . . . . . . . . 5565 1 25 . 1 1 3 3 TYR HD1 H 1 6.84 0.2 . 1 . . . . . . . . . 5565 1 26 . 1 1 3 3 TYR HE1 H 1 6.58 0.2 . 1 . . . . . . . . . 5565 1 27 . 1 1 3 3 TYR HE2 H 1 6.58 0.2 . 1 . . . . . . . . . 5565 1 28 . 1 1 3 3 TYR HD2 H 1 6.84 0.2 . 1 . . . . . . . . . 5565 1 29 . 1 1 3 3 TYR C C 13 172.85 0.2 . 1 . . . . . . . . . 5565 1 30 . 1 1 3 3 TYR CA C 13 54.82 0.2 . 1 . . . . . . . . . 5565 1 31 . 1 1 3 3 TYR CB C 13 39.33 0.2 . 1 . . . . . . . . . 5565 1 32 . 1 1 3 3 TYR CD1 C 13 133.79 0.2 . 1 . . . . . . . . . 5565 1 33 . 1 1 3 3 TYR CE1 C 13 117.67 0.2 . 1 . . . . . . . . . 5565 1 34 . 1 1 3 3 TYR CD2 C 13 133.79 0.2 . 1 . . . . . . . . . 5565 1 35 . 1 1 3 3 TYR CE2 C 13 117.67 0.2 . 1 . . . . . . . . . 5565 1 36 . 1 1 3 3 TYR N N 15 118.77 0.2 . 1 . . . . . . . . . 5565 1 37 . 1 1 4 4 PHE H H 1 8.48 0.2 . 1 . . . . . . . . . 5565 1 38 . 1 1 4 4 PHE HA H 1 5.61 0.2 . 1 . . . . . . . . . 5565 1 39 . 1 1 4 4 PHE HB2 H 1 2.84 0.2 . 1 . . . . . . . . . 5565 1 40 . 1 1 4 4 PHE HB3 H 1 2.84 0.2 . 1 . . . . . . . . . 5565 1 41 . 1 1 4 4 PHE HD1 H 1 7.24 0.2 . 1 . . . . . . . . . 5565 1 42 . 1 1 4 4 PHE HE1 H 1 7.12 0.2 . 1 . . . . . . . . . 5565 1 43 . 1 1 4 4 PHE HZ H 1 7.19 0.2 . 1 . . . . . . . . . 5565 1 44 . 1 1 4 4 PHE HE2 H 1 7.12 0.2 . 1 . . . . . . . . . 5565 1 45 . 1 1 4 4 PHE HD2 H 1 7.24 0.2 . 1 . . . . . . . . . 5565 1 46 . 1 1 4 4 PHE C C 13 176.02 0.2 . 1 . . . . . . . . . 5565 1 47 . 1 1 4 4 PHE CA C 13 55.15 0.2 . 1 . . . . . . . . . 5565 1 48 . 1 1 4 4 PHE CB C 13 41.2 0.2 . 1 . . . . . . . . . 5565 1 49 . 1 1 4 4 PHE CD1 C 13 131.99 0.2 . 1 . . . . . . . . . 5565 1 50 . 1 1 4 4 PHE CE1 C 13 131.4 0.2 . 1 . . . . . . . . . 5565 1 51 . 1 1 4 4 PHE CZ C 13 129.75 0.2 . 1 . . . . . . . . . 5565 1 52 . 1 1 4 4 PHE CE2 C 13 131.4 0.2 . 1 . . . . . . . . . 5565 1 53 . 1 1 4 4 PHE CD2 C 13 131.99 0.2 . 1 . . . . . . . . . 5565 1 54 . 1 1 4 4 PHE N N 15 117.52 0.2 . 1 . . . . . . . . . 5565 1 55 . 1 1 5 5 ILE H H 1 9.2 0.2 . 1 . . . . . . . . . 5565 1 56 . 1 1 5 5 ILE HA H 1 4.75 0.2 . 1 . . . . . . . . . 5565 1 57 . 1 1 5 5 ILE HB H 1 1.9 0.2 . 1 . . . . . . . . . 5565 1 58 . 1 1 5 5 ILE HG12 H 1 1.56 0.2 . 2 . . . . . . . . . 5565 1 59 . 1 1 5 5 ILE HG13 H 1 1.2 0.2 . 2 . . . . . . . . . 5565 1 60 . 1 1 5 5 ILE HG21 H 1 1.09 0.2 . 1 . . . . . . . . . 5565 1 61 . 1 1 5 5 ILE HG22 H 1 1.09 0.2 . 1 . . . . . . . . . 5565 1 62 . 1 1 5 5 ILE HG23 H 1 1.09 0.2 . 1 . . . . . . . . . 5565 1 63 . 1 1 5 5 ILE HD11 H 1 1.02 0.2 . 1 . . . . . . . . . 5565 1 64 . 1 1 5 5 ILE HD12 H 1 1.02 0.2 . 1 . . . . . . . . . 5565 1 65 . 1 1 5 5 ILE HD13 H 1 1.02 0.2 . 1 . . . . . . . . . 5565 1 66 . 1 1 5 5 ILE C C 13 173.72 0.2 . 1 . . . . . . . . . 5565 1 67 . 1 1 5 5 ILE CA C 13 57.1 0.2 . 1 . . . . . . . . . 5565 1 68 . 1 1 5 5 ILE CB C 13 40.8 0.2 . 1 . . . . . . . . . 5565 1 69 . 1 1 5 5 ILE CG1 C 13 26.05 0.2 . 1 . . . . . . . . . 5565 1 70 . 1 1 5 5 ILE CG2 C 13 19.65 0.2 . 1 . . . . . . . . . 5565 1 71 . 1 1 5 5 ILE CD1 C 13 13.51 0.2 . 1 . . . . . . . . . 5565 1 72 . 1 1 5 5 ILE N N 15 122.58 0.2 . 1 . . . . . . . . . 5565 1 73 . 1 1 6 6 PRO HA H 1 4.42 0.2 . 1 . . . . . . . . . 5565 1 74 . 1 1 6 6 PRO HB2 H 1 2.38 0.2 . 1 . . . . . . . . . 5565 1 75 . 1 1 6 6 PRO HB3 H 1 2.38 0.2 . 1 . . . . . . . . . 5565 1 76 . 1 1 6 6 PRO HG2 H 1 2.1 0.2 . 1 . . . . . . . . . 5565 1 77 . 1 1 6 6 PRO HG3 H 1 2.1 0.2 . 1 . . . . . . . . . 5565 1 78 . 1 1 6 6 PRO HD2 H 1 3.85 0.2 . 2 . . . . . . . . . 5565 1 79 . 1 1 6 6 PRO HD3 H 1 3.77 0.2 . 2 . . . . . . . . . 5565 1 80 . 1 1 6 6 PRO C C 13 176.2 0.2 . 1 . . . . . . . . . 5565 1 81 . 1 1 6 6 PRO CA C 13 62.17 0.2 . 1 . . . . . . . . . 5565 1 82 . 1 1 6 6 PRO CB C 13 31.23 0.2 . 1 . . . . . . . . . 5565 1 83 . 1 1 6 6 PRO CG C 13 26.84 0.2 . 1 . . . . . . . . . 5565 1 84 . 1 1 6 6 PRO CD C 13 50.21 0.2 . 1 . . . . . . . . . 5565 1 85 . 1 1 7 7 ASN H H 1 8.11 0.2 . 1 . . . . . . . . . 5565 1 86 . 1 1 7 7 ASN HA H 1 4.73 0.2 . 1 . . . . . . . . . 5565 1 87 . 1 1 7 7 ASN HB2 H 1 3.03 0.2 . 2 . . . . . . . . . 5565 1 88 . 1 1 7 7 ASN HB3 H 1 2.43 0.2 . 2 . . . . . . . . . 5565 1 89 . 1 1 7 7 ASN HD21 H 1 7.48 0.2 . 2 . . . . . . . . . 5565 1 90 . 1 1 7 7 ASN HD22 H 1 7.19 0.2 . 2 . . . . . . . . . 5565 1 91 . 1 1 7 7 ASN C C 13 176.2 0.2 . 1 . . . . . . . . . 5565 1 92 . 1 1 7 7 ASN CA C 13 52.04 0.2 . 1 . . . . . . . . . 5565 1 93 . 1 1 7 7 ASN CB C 13 37.69 0.2 . 1 . . . . . . . . . 5565 1 94 . 1 1 7 7 ASN N N 15 120.08 0.2 . 1 . . . . . . . . . 5565 1 95 . 1 1 7 7 ASN ND2 N 15 113.44 0.2 . 1 . . . . . . . . . 5565 1 96 . 1 1 8 8 GLN H H 1 8.58 0.2 . 1 . . . . . . . . . 5565 1 97 . 1 1 8 8 GLN HA H 1 4.36 0.2 . 1 . . . . . . . . . 5565 1 98 . 1 1 8 8 GLN HB2 H 1 2.24 0.2 . 2 . . . . . . . . . 5565 1 99 . 1 1 8 8 GLN HB3 H 1 1.72 0.2 . 2 . . . . . . . . . 5565 1 100 . 1 1 8 8 GLN HG2 H 1 2.36 0.2 . 1 . . . . . . . . . 5565 1 101 . 1 1 8 8 GLN HG3 H 1 2.36 0.2 . 1 . . . . . . . . . 5565 1 102 . 1 1 8 8 GLN HE21 H 1 7.4 0.2 . 2 . . . . . . . . . 5565 1 103 . 1 1 8 8 GLN HE22 H 1 6.91 0.2 . 2 . . . . . . . . . 5565 1 104 . 1 1 8 8 GLN C C 13 176.59 0.2 . 1 . . . . . . . . . 5565 1 105 . 1 1 8 8 GLN CA C 13 54.26 0.2 . 1 . . . . . . . . . 5565 1 106 . 1 1 8 8 GLN CB C 13 28.59 0.2 . 1 . . . . . . . . . 5565 1 107 . 1 1 8 8 GLN CG C 13 33.08 0.2 . 1 . . . . . . . . . 5565 1 108 . 1 1 8 8 GLN N N 15 123.77 0.2 . 1 . . . . . . . . . 5565 1 109 . 1 1 8 8 GLN NE2 N 15 112.9 0.2 . 1 . . . . . . . . . 5565 1 110 . 1 1 9 9 SER H H 1 7.77 0.2 . 1 . . . . . . . . . 5565 1 111 . 1 1 9 9 SER HA H 1 4.25 0.2 . 1 . . . . . . . . . 5565 1 112 . 1 1 9 9 SER HB2 H 1 3.85 0.2 . 1 . . . . . . . . . 5565 1 113 . 1 1 9 9 SER HB3 H 1 3.85 0.2 . 1 . . . . . . . . . 5565 1 114 . 1 1 9 9 SER C C 13 175.21 0.2 . 1 . . . . . . . . . 5565 1 115 . 1 1 9 9 SER CA C 13 57.75 0.2 . 1 . . . . . . . . . 5565 1 116 . 1 1 9 9 SER CB C 13 63.49 0.2 . 1 . . . . . . . . . 5565 1 117 . 1 1 9 9 SER N N 15 113.77 0.2 . 1 . . . . . . . . . 5565 1 118 . 1 1 10 10 LEU H H 1 8.58 0.2 . 1 . . . . . . . . . 5565 1 119 . 1 1 10 10 LEU HA H 1 4.35 0.2 . 1 . . . . . . . . . 5565 1 120 . 1 1 10 10 LEU HB2 H 1 1.62 0.2 . 1 . . . . . . . . . 5565 1 121 . 1 1 10 10 LEU HB3 H 1 1.62 0.2 . 1 . . . . . . . . . 5565 1 122 . 1 1 10 10 LEU HG H 1 1.65 0.2 . 1 . . . . . . . . . 5565 1 123 . 1 1 10 10 LEU HD11 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1 124 . 1 1 10 10 LEU HD12 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1 125 . 1 1 10 10 LEU HD13 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1 126 . 1 1 10 10 LEU HD21 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1 127 . 1 1 10 10 LEU HD22 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1 128 . 1 1 10 10 LEU HD23 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1 129 . 1 1 10 10 LEU C C 13 177.2 0.2 . 1 . . . . . . . . . 5565 1 130 . 1 1 10 10 LEU CA C 13 54.39 0.2 . 1 . . . . . . . . . 5565 1 131 . 1 1 10 10 LEU CB C 13 40.99 0.2 . 1 . . . . . . . . . 5565 1 132 . 1 1 10 10 LEU CG C 13 26.32 0.2 . 1 . . . . . . . . . 5565 1 133 . 1 1 10 10 LEU CD1 C 13 24.17 0.2 . 2 . . . . . . . . . 5565 1 134 . 1 1 10 10 LEU CD2 C 13 22.09 0.2 . 2 . . . . . . . . . 5565 1 135 . 1 1 10 10 LEU N N 15 125.02 0.2 . 1 . . . . . . . . . 5565 1 136 . 1 1 11 11 LYS H H 1 8.11 0.2 . 1 . . . . . . . . . 5565 1 137 . 1 1 11 11 LYS HA H 1 4.59 0.2 . 1 . . . . . . . . . 5565 1 138 . 1 1 11 11 LYS HB2 H 1 1.72 0.2 . 1 . . . . . . . . . 5565 1 139 . 1 1 11 11 LYS HB3 H 1 1.72 0.2 . 1 . . . . . . . . . 5565 1 140 . 1 1 11 11 LYS HG2 H 1 1.32 0.2 . 1 . . . . . . . . . 5565 1 141 . 1 1 11 11 LYS HG3 H 1 1.32 0.2 . 1 . . . . . . . . . 5565 1 142 . 1 1 11 11 LYS HD2 H 1 1.5 0.2 . 1 . . . . . . . . . 5565 1 143 . 1 1 11 11 LYS HD3 H 1 1.5 0.2 . 1 . . . . . . . . . 5565 1 144 . 1 1 11 11 LYS C C 13 174.7 0.2 . 1 . . . . . . . . . 5565 1 145 . 1 1 11 11 LYS CA C 13 52.53 0.2 . 1 . . . . . . . . . 5565 1 146 . 1 1 11 11 LYS CB C 13 32.42 0.2 . 1 . . . . . . . . . 5565 1 147 . 1 1 11 11 LYS N N 15 121.27 0.2 . 1 . . . . . . . . . 5565 1 148 . 1 1 12 12 PRO HA H 1 4.39 0.2 . 1 . . . . . . . . . 5565 1 149 . 1 1 12 12 PRO HB2 H 1 2.23 0.2 . 1 . . . . . . . . . 5565 1 150 . 1 1 12 12 PRO HB3 H 1 2.23 0.2 . 1 . . . . . . . . . 5565 1 151 . 1 1 12 12 PRO HG2 H 1 2.01 0.2 . 2 . . . . . . . . . 5565 1 152 . 1 1 12 12 PRO HG3 H 1 1.86 0.2 . 2 . . . . . . . . . 5565 1 153 . 1 1 12 12 PRO HD2 H 1 3.81 0.2 . 2 . . . . . . . . . 5565 1 154 . 1 1 12 12 PRO HD3 H 1 3.62 0.2 . 2 . . . . . . . . . 5565 1 155 . 1 1 12 12 PRO C C 13 176.67 0.2 . 1 . . . . . . . . . 5565 1 156 . 1 1 12 12 PRO CA C 13 62.44 0.2 . 1 . . . . . . . . . 5565 1 157 . 1 1 12 12 PRO CB C 13 31.47 0.2 . 1 . . . . . . . . . 5565 1 158 . 1 1 12 12 PRO CG C 13 26.32 0.2 . 1 . . . . . . . . . 5565 1 159 . 1 1 12 12 PRO CD C 13 50.21 0.2 . 1 . . . . . . . . . 5565 1 160 . 1 1 13 13 ASN H H 1 8.6 0.2 . 1 . . . . . . . . . 5565 1 161 . 1 1 13 13 ASN HA H 1 4.42 0.2 . 1 . . . . . . . . . 5565 1 162 . 1 1 13 13 ASN HB2 H 1 2.96 0.2 . 1 . . . . . . . . . 5565 1 163 . 1 1 13 13 ASN HB3 H 1 2.96 0.2 . 1 . . . . . . . . . 5565 1 164 . 1 1 13 13 ASN HD21 H 1 7.48 0.2 . 2 . . . . . . . . . 5565 1 165 . 1 1 13 13 ASN HD22 H 1 6.81 0.2 . 2 . . . . . . . . . 5565 1 166 . 1 1 13 13 ASN C C 13 173.86 0.2 . 1 . . . . . . . . . 5565 1 167 . 1 1 13 13 ASN CA C 13 53.22 0.2 . 1 . . . . . . . . . 5565 1 168 . 1 1 13 13 ASN CB C 13 36.7 0.2 . 1 . . . . . . . . . 5565 1 169 . 1 1 13 13 ASN N N 15 113.77 0.2 . 1 . . . . . . . . . 5565 1 170 . 1 1 13 13 ASN ND2 N 15 112.81 0.2 . 1 . . . . . . . . . 5565 1 171 . 1 1 14 14 GLU H H 1 7.58 0.2 . 1 . . . . . . . . . 5565 1 172 . 1 1 14 14 GLU HA H 1 4.83 0.2 . 1 . . . . . . . . . 5565 1 173 . 1 1 14 14 GLU HB2 H 1 1.67 0.2 . 1 . . . . . . . . . 5565 1 174 . 1 1 14 14 GLU HB3 H 1 1.67 0.2 . 1 . . . . . . . . . 5565 1 175 . 1 1 14 14 GLU HG2 H 1 1.93 0.2 . 1 . . . . . . . . . 5565 1 176 . 1 1 14 14 GLU HG3 H 1 1.93 0.2 . 1 . . . . . . . . . 5565 1 177 . 1 1 14 14 GLU C C 13 174.68 0.2 . 1 . . . . . . . . . 5565 1 178 . 1 1 14 14 GLU CA C 13 54.33 0.2 . 1 . . . . . . . . . 5565 1 179 . 1 1 14 14 GLU CB C 13 32.77 0.2 . 1 . . . . . . . . . 5565 1 180 . 1 1 14 14 GLU CG C 13 34.49 0.2 . 1 . . . . . . . . . 5565 1 181 . 1 1 14 14 GLU N N 15 116.27 0.2 . 1 . . . . . . . . . 5565 1 182 . 1 1 15 15 CYS H H 1 9.19 0.2 . 1 . . . . . . . . . 5565 1 183 . 1 1 15 15 CYS HA H 1 5.18 0.2 . 1 . . . . . . . . . 5565 1 184 . 1 1 15 15 CYS HB2 H 1 2.96 0.2 . 2 . . . . . . . . . 5565 1 185 . 1 1 15 15 CYS HB3 H 1 2.74 0.2 . 2 . . . . . . . . . 5565 1 186 . 1 1 15 15 CYS C C 13 173.76 0.2 . 1 . . . . . . . . . 5565 1 187 . 1 1 15 15 CYS CA C 13 55.5 0.2 . 1 . . . . . . . . . 5565 1 188 . 1 1 15 15 CYS CB C 13 42.26 0.2 . 1 . . . . . . . . . 5565 1 189 . 1 1 15 15 CYS N N 15 115.65 0.2 . 1 . . . . . . . . . 5565 1 190 . 1 1 16 16 GLN H H 1 8.35 0.2 . 1 . . . . . . . . . 5565 1 191 . 1 1 16 16 GLN HA H 1 5 0.2 . 1 . . . . . . . . . 5565 1 192 . 1 1 16 16 GLN HB2 H 1 1.86 0.2 . 2 . . . . . . . . . 5565 1 193 . 1 1 16 16 GLN HB3 H 1 1.77 0.2 . 2 . . . . . . . . . 5565 1 194 . 1 1 16 16 GLN HG2 H 1 2.26 0.2 . 1 . . . . . . . . . 5565 1 195 . 1 1 16 16 GLN HG3 H 1 2.26 0.2 . 1 . . . . . . . . . 5565 1 196 . 1 1 16 16 GLN HE21 H 1 7.46 0.2 . 2 . . . . . . . . . 5565 1 197 . 1 1 16 16 GLN HE22 H 1 6.69 0.2 . 2 . . . . . . . . . 5565 1 198 . 1 1 16 16 GLN C C 13 174.91 0.2 . 1 . . . . . . . . . 5565 1 199 . 1 1 16 16 GLN CA C 13 54.06 0.2 . 1 . . . . . . . . . 5565 1 200 . 1 1 16 16 GLN CB C 13 31 0.2 . 1 . . . . . . . . . 5565 1 201 . 1 1 16 16 GLN CG C 13 33.16 0.2 . 1 . . . . . . . . . 5565 1 202 . 1 1 16 16 GLN N N 15 122.52 0.2 . 1 . . . . . . . . . 5565 1 203 . 1 1 16 16 GLN NE2 N 15 111.18 0.2 . 1 . . . . . . . . . 5565 1 204 . 1 1 17 17 ASP H H 1 8.32 0.2 . 1 . . . . . . . . . 5565 1 205 . 1 1 17 17 ASP HA H 1 4.65 0.2 . 1 . . . . . . . . . 5565 1 206 . 1 1 17 17 ASP HB2 H 1 3.64 0.2 . 2 . . . . . . . . . 5565 1 207 . 1 1 17 17 ASP HB3 H 1 2.43 0.2 . 2 . . . . . . . . . 5565 1 208 . 1 1 17 17 ASP C C 13 177.15 0.2 . 1 . . . . . . . . . 5565 1 209 . 1 1 17 17 ASP CA C 13 51.7 0.2 . 1 . . . . . . . . . 5565 1 210 . 1 1 17 17 ASP CB C 13 41.2 0.2 . 1 . . . . . . . . . 5565 1 211 . 1 1 17 17 ASP N N 15 123.77 0.2 . 1 . . . . . . . . . 5565 1 212 . 1 1 18 18 LEU H H 1 8.23 0.2 . 1 . . . . . . . . . 5565 1 213 . 1 1 18 18 LEU HA H 1 4.16 0.2 . 1 . . . . . . . . . 5565 1 214 . 1 1 18 18 LEU HB2 H 1 1.78 0.2 . 2 . . . . . . . . . 5565 1 215 . 1 1 18 18 LEU HB3 H 1 1.67 0.2 . 2 . . . . . . . . . 5565 1 216 . 1 1 18 18 LEU HG H 1 1.77 0.2 . 1 . . . . . . . . . 5565 1 217 . 1 1 18 18 LEU HD11 H 1 0.98 0.2 . 2 . . . . . . . . . 5565 1 218 . 1 1 18 18 LEU HD12 H 1 0.98 0.2 . 2 . . . . . . . . . 5565 1 219 . 1 1 18 18 LEU HD13 H 1 0.98 0.2 . 2 . . . . . . . . . 5565 1 220 . 1 1 18 18 LEU HD21 H 1 0.9 0.2 . 2 . . . . . . . . . 5565 1 221 . 1 1 18 18 LEU HD22 H 1 0.9 0.2 . 2 . . . . . . . . . 5565 1 222 . 1 1 18 18 LEU HD23 H 1 0.9 0.2 . 2 . . . . . . . . . 5565 1 223 . 1 1 18 18 LEU C C 13 178.31 0.2 . 1 . . . . . . . . . 5565 1 224 . 1 1 18 18 LEU CA C 13 56.15 0.2 . 1 . . . . . . . . . 5565 1 225 . 1 1 18 18 LEU CB C 13 40.54 0.2 . 1 . . . . . . . . . 5565 1 226 . 1 1 18 18 LEU CG C 13 26.43 0.2 . 1 . . . . . . . . . 5565 1 227 . 1 1 18 18 LEU CD1 C 13 24.37 0.2 . 2 . . . . . . . . . 5565 1 228 . 1 1 18 18 LEU CD2 C 13 21.99 0.2 . 2 . . . . . . . . . 5565 1 229 . 1 1 18 18 LEU N N 15 116.27 0.2 . 1 . . . . . . . . . 5565 1 230 . 1 1 19 19 LYS H H 1 8.22 0.2 . 1 . . . . . . . . . 5565 1 231 . 1 1 19 19 LYS HA H 1 4.41 0.2 . 1 . . . . . . . . . 5565 1 232 . 1 1 19 19 LYS HB2 H 1 2.02 0.2 . 2 . . . . . . . . . 5565 1 233 . 1 1 19 19 LYS HB3 H 1 1.86 0.2 . 2 . . . . . . . . . 5565 1 234 . 1 1 19 19 LYS HG2 H 1 1.46 0.2 . 2 . . . . . . . . . 5565 1 235 . 1 1 19 19 LYS HG3 H 1 1.36 0.2 . 2 . . . . . . . . . 5565 1 236 . 1 1 19 19 LYS HD2 H 1 1.66 0.2 . 1 . . . . . . . . . 5565 1 237 . 1 1 19 19 LYS HD3 H 1 1.66 0.2 . 1 . . . . . . . . . 5565 1 238 . 1 1 19 19 LYS C C 13 176.74 0.2 . 1 . . . . . . . . . 5565 1 239 . 1 1 19 19 LYS CA C 13 54.29 0.2 . 1 . . . . . . . . . 5565 1 240 . 1 1 19 19 LYS CB C 13 31.28 0.2 . 1 . . . . . . . . . 5565 1 241 . 1 1 19 19 LYS CG C 13 24.08 0.2 . 1 . . . . . . . . . 5565 1 242 . 1 1 19 19 LYS CD C 13 27.66 0.2 . 1 . . . . . . . . . 5565 1 243 . 1 1 19 19 LYS CE C 13 41.25 0.2 . 1 . . . . . . . . . 5565 1 244 . 1 1 19 19 LYS N N 15 118.15 0.2 . 1 . . . . . . . . . 5565 1 245 . 1 1 20 20 GLY H H 1 7.92 0.2 . 1 . . . . . . . . . 5565 1 246 . 1 1 20 20 GLY HA2 H 1 3.5 0.2 . 2 . . . . . . . . . 5565 1 247 . 1 1 20 20 GLY HA3 H 1 4.11 0.2 . 2 . . . . . . . . . 5565 1 248 . 1 1 20 20 GLY C C 13 173.73 0.2 . 1 . . . . . . . . . 5565 1 249 . 1 1 20 20 GLY CA C 13 44.37 0.2 . 1 . . . . . . . . . 5565 1 250 . 1 1 20 20 GLY N N 15 107.52 0.2 . 1 . . . . . . . . . 5565 1 251 . 1 1 21 21 VAL H H 1 8.02 0.2 . 1 . . . . . . . . . 5565 1 252 . 1 1 21 21 VAL HA H 1 3.7 0.2 . 1 . . . . . . . . . 5565 1 253 . 1 1 21 21 VAL HB H 1 2.2 0.2 . 1 . . . . . . . . . 5565 1 254 . 1 1 21 21 VAL HG11 H 1 0.73 0.2 . 2 . . . . . . . . . 5565 1 255 . 1 1 21 21 VAL HG12 H 1 0.73 0.2 . 2 . . . . . . . . . 5565 1 256 . 1 1 21 21 VAL HG13 H 1 0.73 0.2 . 2 . . . . . . . . . 5565 1 257 . 1 1 21 21 VAL HG21 H 1 0.34 0.2 . 2 . . . . . . . . . 5565 1 258 . 1 1 21 21 VAL HG22 H 1 0.34 0.2 . 2 . . . . . . . . . 5565 1 259 . 1 1 21 21 VAL HG23 H 1 0.34 0.2 . 2 . . . . . . . . . 5565 1 260 . 1 1 21 21 VAL C C 13 175.67 0.2 . 1 . . . . . . . . . 5565 1 261 . 1 1 21 21 VAL CA C 13 61.61 0.2 . 1 . . . . . . . . . 5565 1 262 . 1 1 21 21 VAL CB C 13 30.59 0.2 . 1 . . . . . . . . . 5565 1 263 . 1 1 21 21 VAL CG1 C 13 19.8 0.2 . 2 . . . . . . . . . 5565 1 264 . 1 1 21 21 VAL CG2 C 13 18.55 0.2 . 2 . . . . . . . . . 5565 1 265 . 1 1 21 21 VAL N N 15 124.4 0.2 . 1 . . . . . . . . . 5565 1 266 . 1 1 22 22 SER H H 1 8.19 0.2 . 1 . . . . . . . . . 5565 1 267 . 1 1 22 22 SER HA H 1 4.92 0.2 . 1 . . . . . . . . . 5565 1 268 . 1 1 22 22 SER HB2 H 1 3.51 0.2 . 1 . . . . . . . . . 5565 1 269 . 1 1 22 22 SER HB3 H 1 3.51 0.2 . 1 . . . . . . . . . 5565 1 270 . 1 1 22 22 SER C C 13 173.41 0.2 . 1 . . . . . . . . . 5565 1 271 . 1 1 22 22 SER CA C 13 56.85 0.2 . 1 . . . . . . . . . 5565 1 272 . 1 1 22 22 SER CB C 13 63.19 0.2 . 1 . . . . . . . . . 5565 1 273 . 1 1 22 22 SER N N 15 122.52 0.2 . 1 . . . . . . . . . 5565 1 274 . 1 1 23 23 HIS H H 1 8.56 0.2 . 1 . . . . . . . . . 5565 1 275 . 1 1 23 23 HIS HA H 1 4.65 0.2 . 1 . . . . . . . . . 5565 1 276 . 1 1 23 23 HIS HB2 H 1 2.73 0.2 . 2 . . . . . . . . . 5565 1 277 . 1 1 23 23 HIS HB3 H 1 2.19 0.2 . 2 . . . . . . . . . 5565 1 278 . 1 1 23 23 HIS HE1 H 1 8.6 0.2 . 2 . . . . . . . . . 5565 1 279 . 1 1 23 23 HIS HD2 H 1 7.34 0.2 . 2 . . . . . . . . . 5565 1 280 . 1 1 23 23 HIS C C 13 171.98 0.2 . 1 . . . . . . . . . 5565 1 281 . 1 1 23 23 HIS CA C 13 51.33 0.2 . 1 . . . . . . . . . 5565 1 282 . 1 1 23 23 HIS CB C 13 30.74 0.2 . 1 . . . . . . . . . 5565 1 283 . 1 1 23 23 HIS CE1 C 13 136.74 0.2 . 1 . . . . . . . . . 5565 1 284 . 1 1 23 23 HIS CD2 C 13 120.58 0.2 . 1 . . . . . . . . . 5565 1 285 . 1 1 23 23 HIS N N 15 120.65 0.2 . 1 . . . . . . . . . 5565 1 286 . 1 1 24 24 PRO HA H 1 4.58 0.2 . 1 . . . . . . . . . 5565 1 287 . 1 1 24 24 PRO HB2 H 1 2.52 0.2 . 2 . . . . . . . . . 5565 1 288 . 1 1 24 24 PRO HB3 H 1 1.89 0.2 . 2 . . . . . . . . . 5565 1 289 . 1 1 24 24 PRO HG2 H 1 2.05 0.2 . 1 . . . . . . . . . 5565 1 290 . 1 1 24 24 PRO HG3 H 1 2.05 0.2 . 1 . . . . . . . . . 5565 1 291 . 1 1 24 24 PRO HD2 H 1 3.8 0.2 . 2 . . . . . . . . . 5565 1 292 . 1 1 24 24 PRO HD3 H 1 3.66 0.2 . 2 . . . . . . . . . 5565 1 293 . 1 1 24 24 PRO C C 13 177.59 0.2 . 1 . . . . . . . . . 5565 1 294 . 1 1 24 24 PRO CA C 13 61.61 0.2 . 1 . . . . . . . . . 5565 1 295 . 1 1 24 24 PRO CB C 13 32.14 0.2 . 1 . . . . . . . . . 5565 1 296 . 1 1 24 24 PRO CG C 13 26.6 0.2 . 1 . . . . . . . . . 5565 1 297 . 1 1 24 24 PRO CD C 13 50.09 0.2 . 1 . . . . . . . . . 5565 1 298 . 1 1 25 25 LEU H H 1 7.9 0.2 . 1 . . . . . . . . . 5565 1 299 . 1 1 25 25 LEU HA H 1 3.9 0.2 . 1 . . . . . . . . . 5565 1 300 . 1 1 25 25 LEU HB2 H 1 1.55 0.2 . 2 . . . . . . . . . 5565 1 301 . 1 1 25 25 LEU HB3 H 1 1.26 0.2 . 2 . . . . . . . . . 5565 1 302 . 1 1 25 25 LEU HG H 1 1.48 0.2 . 1 . . . . . . . . . 5565 1 303 . 1 1 25 25 LEU HD11 H 1 0.82 0.2 . 2 . . . . . . . . . 5565 1 304 . 1 1 25 25 LEU HD12 H 1 0.82 0.2 . 2 . . . . . . . . . 5565 1 305 . 1 1 25 25 LEU HD13 H 1 0.82 0.2 . 2 . . . . . . . . . 5565 1 306 . 1 1 25 25 LEU HD21 H 1 0.76 0.2 . 2 . . . . . . . . . 5565 1 307 . 1 1 25 25 LEU HD22 H 1 0.76 0.2 . 2 . . . . . . . . . 5565 1 308 . 1 1 25 25 LEU HD23 H 1 0.76 0.2 . 2 . . . . . . . . . 5565 1 309 . 1 1 25 25 LEU C C 13 176.94 0.2 . 1 . . . . . . . . . 5565 1 310 . 1 1 25 25 LEU CA C 13 56.48 0.2 . 1 . . . . . . . . . 5565 1 311 . 1 1 25 25 LEU CB C 13 41.32 0.2 . 1 . . . . . . . . . 5565 1 312 . 1 1 25 25 LEU CG C 13 25.76 0.2 . 1 . . . . . . . . . 5565 1 313 . 1 1 25 25 LEU CD1 C 13 24.27 0.2 . 2 . . . . . . . . . 5565 1 314 . 1 1 25 25 LEU CD2 C 13 22.65 0.2 . 2 . . . . . . . . . 5565 1 315 . 1 1 25 25 LEU N N 15 124.4 0.2 . 1 . . . . . . . . . 5565 1 316 . 1 1 26 26 ASN H H 1 8.76 0.2 . 1 . . . . . . . . . 5565 1 317 . 1 1 26 26 ASN HA H 1 4.4 0.2 . 1 . . . . . . . . . 5565 1 318 . 1 1 26 26 ASN HB2 H 1 3.25 0.2 . 2 . . . . . . . . . 5565 1 319 . 1 1 26 26 ASN HB3 H 1 2.98 0.2 . 2 . . . . . . . . . 5565 1 320 . 1 1 26 26 ASN HD21 H 1 7.57 0.2 . 2 . . . . . . . . . 5565 1 321 . 1 1 26 26 ASN HD22 H 1 6.87 0.2 . 2 . . . . . . . . . 5565 1 322 . 1 1 26 26 ASN C C 13 174.09 0.2 . 1 . . . . . . . . . 5565 1 323 . 1 1 26 26 ASN CA C 13 54.73 0.2 . 1 . . . . . . . . . 5565 1 324 . 1 1 26 26 ASN CB C 13 36.27 0.2 . 1 . . . . . . . . . 5565 1 325 . 1 1 26 26 ASN N N 15 118.15 0.2 . 1 . . . . . . . . . 5565 1 326 . 1 1 26 26 ASN ND2 N 15 112.98 0.2 . 1 . . . . . . . . . 5565 1 327 . 1 1 27 27 SER H H 1 8.05 0.2 . 1 . . . . . . . . . 5565 1 328 . 1 1 27 27 SER HA H 1 4.56 0.2 . 1 . . . . . . . . . 5565 1 329 . 1 1 27 27 SER HB2 H 1 4.21 0.2 . 2 . . . . . . . . . 5565 1 330 . 1 1 27 27 SER HB3 H 1 3.99 0.2 . 2 . . . . . . . . . 5565 1 331 . 1 1 27 27 SER C C 13 172.46 0.2 . 1 . . . . . . . . . 5565 1 332 . 1 1 27 27 SER CA C 13 58.08 0.2 . 1 . . . . . . . . . 5565 1 333 . 1 1 27 27 SER CB C 13 64.45 0.2 . 1 . . . . . . . . . 5565 1 334 . 1 1 27 27 SER N N 15 115.02 0.2 . 1 . . . . . . . . . 5565 1 335 . 1 1 28 28 VAL H H 1 8.2 0.2 . 1 . . . . . . . . . 5565 1 336 . 1 1 28 28 VAL HA H 1 5.29 0.2 . 1 . . . . . . . . . 5565 1 337 . 1 1 28 28 VAL HB H 1 1.79 0.2 . 1 . . . . . . . . . 5565 1 338 . 1 1 28 28 VAL HG11 H 1 0.72 0.2 . 2 . . . . . . . . . 5565 1 339 . 1 1 28 28 VAL HG12 H 1 0.72 0.2 . 2 . . . . . . . . . 5565 1 340 . 1 1 28 28 VAL HG13 H 1 0.72 0.2 . 2 . . . . . . . . . 5565 1 341 . 1 1 28 28 VAL HG21 H 1 0.85 0.2 . 2 . . . . . . . . . 5565 1 342 . 1 1 28 28 VAL HG22 H 1 0.85 0.2 . 2 . . . . . . . . . 5565 1 343 . 1 1 28 28 VAL HG23 H 1 0.85 0.2 . 2 . . . . . . . . . 5565 1 344 . 1 1 28 28 VAL C C 13 176.1 0.2 . 1 . . . . . . . . . 5565 1 345 . 1 1 28 28 VAL CA C 13 59.35 0.2 . 1 . . . . . . . . . 5565 1 346 . 1 1 28 28 VAL CB C 13 34.22 0.2 . 1 . . . . . . . . . 5565 1 347 . 1 1 28 28 VAL CG1 C 13 20 0.2 . 1 . . . . . . . . . 5565 1 348 . 1 1 28 28 VAL CG2 C 13 20 0.2 . 1 . . . . . . . . . 5565 1 349 . 1 1 28 28 VAL N N 15 119.4 0.2 . 1 . . . . . . . . . 5565 1 350 . 1 1 29 29 TRP H H 1 8.93 0.2 . 1 . . . . . . . . . 5565 1 351 . 1 1 29 29 TRP HA H 1 5.08 0.2 . 1 . . . . . . . . . 5565 1 352 . 1 1 29 29 TRP HB2 H 1 3.34 0.2 . 2 . . . . . . . . . 5565 1 353 . 1 1 29 29 TRP HB3 H 1 3.19 0.2 . 2 . . . . . . . . . 5565 1 354 . 1 1 29 29 TRP HE1 H 1 10.05 0.2 . 1 . . . . . . . . . 5565 1 355 . 1 1 29 29 TRP HD1 H 1 6.77 0.2 . 1 . . . . . . . . . 5565 1 356 . 1 1 29 29 TRP HE3 H 1 6.95 0.2 . 1 . . . . . . . . . 5565 1 357 . 1 1 29 29 TRP HZ3 H 1 6.69 0.2 . 1 . . . . . . . . . 5565 1 358 . 1 1 29 29 TRP HH2 H 1 6.24 0.2 . 1 . . . . . . . . . 5565 1 359 . 1 1 29 29 TRP HZ2 H 1 6.76 0.2 . 1 . . . . . . . . . 5565 1 360 . 1 1 29 29 TRP C C 13 172.39 0.2 . 1 . . . . . . . . . 5565 1 361 . 1 1 29 29 TRP CA C 13 55.63 0.2 . 1 . . . . . . . . . 5565 1 362 . 1 1 29 29 TRP CB C 13 31.09 0.2 . 1 . . . . . . . . . 5565 1 363 . 1 1 29 29 TRP CD1 C 13 126.89 0.2 . 1 . . . . . . . . . 5565 1 364 . 1 1 29 29 TRP CE3 C 13 123.5 0.2 . 1 . . . . . . . . . 5565 1 365 . 1 1 29 29 TRP CZ3 C 13 118.73 0.2 . 1 . . . . . . . . . 5565 1 366 . 1 1 29 29 TRP CH2 C 13 119.81 0.2 . 1 . . . . . . . . . 5565 1 367 . 1 1 29 29 TRP CZ2 C 13 112.9 0.2 . 1 . . . . . . . . . 5565 1 368 . 1 1 29 29 TRP N N 15 126.9 0.2 . 1 . . . . . . . . . 5565 1 369 . 1 1 29 29 TRP NE1 N 15 128.44 0.2 . 1 . . . . . . . . . 5565 1 370 . 1 1 30 30 LYS H H 1 8.5 0.2 . 1 . . . . . . . . . 5565 1 371 . 1 1 30 30 LYS HA H 1 5.19 0.2 . 1 . . . . . . . . . 5565 1 372 . 1 1 30 30 LYS HB2 H 1 1.93 0.2 . 2 . . . . . . . . . 5565 1 373 . 1 1 30 30 LYS HB3 H 1 1.75 0.2 . 2 . . . . . . . . . 5565 1 374 . 1 1 30 30 LYS HG2 H 1 1.52 0.2 . 2 . . . . . . . . . 5565 1 375 . 1 1 30 30 LYS HG3 H 1 1.41 0.2 . 2 . . . . . . . . . 5565 1 376 . 1 1 30 30 LYS HD2 H 1 1.66 0.2 . 1 . . . . . . . . . 5565 1 377 . 1 1 30 30 LYS HD3 H 1 1.66 0.2 . 1 . . . . . . . . . 5565 1 378 . 1 1 30 30 LYS C C 13 177.74 0.2 . 1 . . . . . . . . . 5565 1 379 . 1 1 30 30 LYS CA C 13 53.68 0.2 . 1 . . . . . . . . . 5565 1 380 . 1 1 30 30 LYS CB C 13 34.05 0.2 . 1 . . . . . . . . . 5565 1 381 . 1 1 30 30 LYS CG C 13 24.47 0.2 . 1 . . . . . . . . . 5565 1 382 . 1 1 30 30 LYS CD C 13 28.27 0.2 . 1 . . . . . . . . . 5565 1 383 . 1 1 30 30 LYS CE C 13 41.18 0.2 . 1 . . . . . . . . . 5565 1 384 . 1 1 30 30 LYS N N 15 119.4 0.2 . 1 . . . . . . . . . 5565 1 385 . 1 1 31 31 THR H H 1 8.46 0.2 . 1 . . . . . . . . . 5565 1 386 . 1 1 31 31 THR HA H 1 4.85 0.2 . 1 . . . . . . . . . 5565 1 387 . 1 1 31 31 THR HB H 1 4.64 0.2 . 1 . . . . . . . . . 5565 1 388 . 1 1 31 31 THR HG21 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1 389 . 1 1 31 31 THR HG22 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1 390 . 1 1 31 31 THR HG23 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1 391 . 1 1 31 31 THR C C 13 175.68 0.2 . 1 . . . . . . . . . 5565 1 392 . 1 1 31 31 THR CA C 13 58.83 0.2 . 1 . . . . . . . . . 5565 1 393 . 1 1 31 31 THR CB C 13 69.98 0.2 . 1 . . . . . . . . . 5565 1 394 . 1 1 31 31 THR CG2 C 13 19.77 0.2 . 1 . . . . . . . . . 5565 1 395 . 1 1 31 31 THR N N 15 113.15 0.2 . 1 . . . . . . . . . 5565 1 396 . 1 1 32 32 LYS HA H 1 4.39 0.2 . 1 . . . . . . . . . 5565 1 397 . 1 1 32 32 LYS HB2 H 1 2.01 0.2 . 2 . . . . . . . . . 5565 1 398 . 1 1 32 32 LYS HB3 H 1 1.86 0.2 . 2 . . . . . . . . . 5565 1 399 . 1 1 32 32 LYS HG2 H 1 1.46 0.2 . 1 . . . . . . . . . 5565 1 400 . 1 1 32 32 LYS HG3 H 1 1.46 0.2 . 1 . . . . . . . . . 5565 1 401 . 1 1 32 32 LYS HD2 H 1 1.64 0.2 . 1 . . . . . . . . . 5565 1 402 . 1 1 32 32 LYS HD3 H 1 1.64 0.2 . 1 . . . . . . . . . 5565 1 403 . 1 1 32 32 LYS C C 13 175.88 0.2 . 1 . . . . . . . . . 5565 1 404 . 1 1 32 32 LYS CA C 13 54.79 0.2 . 1 . . . . . . . . . 5565 1 405 . 1 1 32 32 LYS CB C 13 31.32 0.2 . 1 . . . . . . . . . 5565 1 406 . 1 1 32 32 LYS CG C 13 23.67 0.2 . 1 . . . . . . . . . 5565 1 407 . 1 1 32 32 LYS CD C 13 28.18 0.2 . 1 . . . . . . . . . 5565 1 408 . 1 1 33 33 ASP H H 1 7.9 0.2 . 1 . . . . . . . . . 5565 1 409 . 1 1 33 33 ASP HA H 1 4.7 0.2 . 1 . . . . . . . . . 5565 1 410 . 1 1 33 33 ASP HB2 H 1 2.8 0.2 . 2 . . . . . . . . . 5565 1 411 . 1 1 33 33 ASP HB3 H 1 2.3 0.2 . 2 . . . . . . . . . 5565 1 412 . 1 1 33 33 ASP C C 13 174.86 0.2 . 1 . . . . . . . . . 5565 1 413 . 1 1 33 33 ASP CA C 13 53.37 0.2 . 1 . . . . . . . . . 5565 1 414 . 1 1 33 33 ASP CB C 13 40 0.2 . 1 . . . . . . . . . 5565 1 415 . 1 1 33 33 ASP N N 15 118.15 0.2 . 1 . . . . . . . . . 5565 1 416 . 1 1 34 34 CYS H H 1 8.15 0.2 . 1 . . . . . . . . . 5565 1 417 . 1 1 34 34 CYS HA H 1 4.31 0.2 . 1 . . . . . . . . . 5565 1 418 . 1 1 34 34 CYS HB2 H 1 3.21 0.2 . 2 . . . . . . . . . 5565 1 419 . 1 1 34 34 CYS HB3 H 1 3.12 0.2 . 2 . . . . . . . . . 5565 1 420 . 1 1 34 34 CYS C C 13 174.07 0.2 . 1 . . . . . . . . . 5565 1 421 . 1 1 34 34 CYS CA C 13 54.84 0.2 . 1 . . . . . . . . . 5565 1 422 . 1 1 34 34 CYS CB C 13 34.75 0.2 . 1 . . . . . . . . . 5565 1 423 . 1 1 34 34 CYS N N 15 111.27 0.2 . 1 . . . . . . . . . 5565 1 424 . 1 1 35 35 GLU H H 1 7.18 0.2 . 1 . . . . . . . . . 5565 1 425 . 1 1 35 35 GLU HA H 1 5.09 0.2 . 1 . . . . . . . . . 5565 1 426 . 1 1 35 35 GLU HB2 H 1 1.63 0.2 . 1 . . . . . . . . . 5565 1 427 . 1 1 35 35 GLU HB3 H 1 1.63 0.2 . 1 . . . . . . . . . 5565 1 428 . 1 1 35 35 GLU HG2 H 1 1.95 0.2 . 1 . . . . . . . . . 5565 1 429 . 1 1 35 35 GLU HG3 H 1 1.95 0.2 . 1 . . . . . . . . . 5565 1 430 . 1 1 35 35 GLU C C 13 175.17 0.2 . 1 . . . . . . . . . 5565 1 431 . 1 1 35 35 GLU CA C 13 53.45 0.2 . 1 . . . . . . . . . 5565 1 432 . 1 1 35 35 GLU CB C 13 32.06 0.2 . 1 . . . . . . . . . 5565 1 433 . 1 1 35 35 GLU CG C 13 34.75 0.2 . 1 . . . . . . . . . 5565 1 434 . 1 1 35 35 GLU N N 15 116.27 0.2 . 1 . . . . . . . . . 5565 1 435 . 1 1 36 36 GLU H H 1 8.6 0.2 . 1 . . . . . . . . . 5565 1 436 . 1 1 36 36 GLU HA H 1 4.81 0.2 . 1 . . . . . . . . . 5565 1 437 . 1 1 36 36 GLU HB2 H 1 1.57 0.2 . 1 . . . . . . . . . 5565 1 438 . 1 1 36 36 GLU HB3 H 1 1.57 0.2 . 1 . . . . . . . . . 5565 1 439 . 1 1 36 36 GLU HG2 H 1 1.79 0.2 . 1 . . . . . . . . . 5565 1 440 . 1 1 36 36 GLU HG3 H 1 1.79 0.2 . 1 . . . . . . . . . 5565 1 441 . 1 1 36 36 GLU C C 13 175.69 0.2 . 1 . . . . . . . . . 5565 1 442 . 1 1 36 36 GLU CA C 13 53.89 0.2 . 1 . . . . . . . . . 5565 1 443 . 1 1 36 36 GLU CB C 13 31.09 0.2 . 1 . . . . . . . . . 5565 1 444 . 1 1 36 36 GLU CG C 13 35.93 0.2 . 1 . . . . . . . . . 5565 1 445 . 1 1 36 36 GLU N N 15 122.52 0.2 . 1 . . . . . . . . . 5565 1 446 . 1 1 37 37 CYS H H 1 8.93 0.2 . 1 . . . . . . . . . 5565 1 447 . 1 1 37 37 CYS HA H 1 5.44 0.2 . 1 . . . . . . . . . 5565 1 448 . 1 1 37 37 CYS HB2 H 1 1.59 0.2 . 2 . . . . . . . . . 5565 1 449 . 1 1 37 37 CYS HB3 H 1 0.56 0.2 . 2 . . . . . . . . . 5565 1 450 . 1 1 37 37 CYS C C 13 170.73 0.2 . 1 . . . . . . . . . 5565 1 451 . 1 1 37 37 CYS CA C 13 53.89 0.2 . 1 . . . . . . . . . 5565 1 452 . 1 1 37 37 CYS CB C 13 46.1 0.2 . 1 . . . . . . . . . 5565 1 453 . 1 1 37 37 CYS N N 15 126.27 0.2 . 1 . . . . . . . . . 5565 1 454 . 1 1 38 38 THR H H 1 8.53 0.2 . 1 . . . . . . . . . 5565 1 455 . 1 1 38 38 THR HA H 1 5.02 0.2 . 1 . . . . . . . . . 5565 1 456 . 1 1 38 38 THR HB H 1 3.75 0.2 . 1 . . . . . . . . . 5565 1 457 . 1 1 38 38 THR HG21 H 1 0.95 0.2 . 1 . . . . . . . . . 5565 1 458 . 1 1 38 38 THR HG22 H 1 0.95 0.2 . 1 . . . . . . . . . 5565 1 459 . 1 1 38 38 THR HG23 H 1 0.95 0.2 . 1 . . . . . . . . . 5565 1 460 . 1 1 38 38 THR C C 13 173.61 0.2 . 1 . . . . . . . . . 5565 1 461 . 1 1 38 38 THR CA C 13 58.83 0.2 . 1 . . . . . . . . . 5565 1 462 . 1 1 38 38 THR CB C 13 70.31 0.2 . 1 . . . . . . . . . 5565 1 463 . 1 1 38 38 THR CG2 C 13 19.21 0.2 . 1 . . . . . . . . . 5565 1 464 . 1 1 38 38 THR N N 15 112.52 0.2 . 1 . . . . . . . . . 5565 1 465 . 1 1 39 39 CYS H H 1 8.24 0.2 . 1 . . . . . . . . . 5565 1 466 . 1 1 39 39 CYS HA H 1 5.09 0.2 . 1 . . . . . . . . . 5565 1 467 . 1 1 39 39 CYS HB2 H 1 3.13 0.2 . 1 . . . . . . . . . 5565 1 468 . 1 1 39 39 CYS HB3 H 1 3.13 0.2 . 1 . . . . . . . . . 5565 1 469 . 1 1 39 39 CYS C C 13 173.46 0.2 . 1 . . . . . . . . . 5565 1 470 . 1 1 39 39 CYS CA C 13 53.89 0.2 . 1 . . . . . . . . . 5565 1 471 . 1 1 39 39 CYS CB C 13 36.42 0.2 . 1 . . . . . . . . . 5565 1 472 . 1 1 39 39 CYS N N 15 123.15 0.2 . 1 . . . . . . . . . 5565 1 473 . 1 1 40 40 GLY H H 1 8.12 0.2 . 1 . . . . . . . . . 5565 1 474 . 1 1 40 40 GLY HA2 H 1 3.85 0.2 . 2 . . . . . . . . . 5565 1 475 . 1 1 40 40 GLY HA3 H 1 4.7 0.2 . 2 . . . . . . . . . 5565 1 476 . 1 1 40 40 GLY C C 13 172.4 0.2 . 1 . . . . . . . . . 5565 1 477 . 1 1 40 40 GLY CA C 13 42.78 0.2 . 1 . . . . . . . . . 5565 1 478 . 1 1 40 40 GLY N N 15 118.77 0.2 . 1 . . . . . . . . . 5565 1 479 . 1 1 41 41 GLN H H 1 8.45 0.2 . 1 . . . . . . . . . 5565 1 480 . 1 1 41 41 GLN HA H 1 3.86 0.2 . 1 . . . . . . . . . 5565 1 481 . 1 1 41 41 GLN HB2 H 1 1.99 0.2 . 1 . . . . . . . . . 5565 1 482 . 1 1 41 41 GLN HB3 H 1 1.99 0.2 . 1 . . . . . . . . . 5565 1 483 . 1 1 41 41 GLN HG2 H 1 2.37 0.2 . 1 . . . . . . . . . 5565 1 484 . 1 1 41 41 GLN HG3 H 1 2.37 0.2 . 1 . . . . . . . . . 5565 1 485 . 1 1 41 41 GLN HE21 H 1 7.48 0.2 . 2 . . . . . . . . . 5565 1 486 . 1 1 41 41 GLN HE22 H 1 6.87 0.2 . 2 . . . . . . . . . 5565 1 487 . 1 1 41 41 GLN C C 13 177.14 0.2 . 1 . . . . . . . . . 5565 1 488 . 1 1 41 41 GLN CA C 13 57.91 0.2 . 1 . . . . . . . . . 5565 1 489 . 1 1 41 41 GLN CB C 13 28.12 0.2 . 1 . . . . . . . . . 5565 1 490 . 1 1 41 41 GLN CG C 13 33.04 0.2 . 1 . . . . . . . . . 5565 1 491 . 1 1 41 41 GLN N N 15 116.9 0.2 . 1 . . . . . . . . . 5565 1 492 . 1 1 41 41 GLN NE2 N 15 111.9 0.2 . 1 . . . . . . . . . 5565 1 493 . 1 1 42 42 ASP H H 1 8.62 0.2 . 1 . . . . . . . . . 5565 1 494 . 1 1 42 42 ASP HA H 1 4.89 0.2 . 1 . . . . . . . . . 5565 1 495 . 1 1 42 42 ASP HB2 H 1 2.84 0.2 . 2 . . . . . . . . . 5565 1 496 . 1 1 42 42 ASP HB3 H 1 2.67 0.2 . 2 . . . . . . . . . 5565 1 497 . 1 1 42 42 ASP C C 13 175.26 0.2 . 1 . . . . . . . . . 5565 1 498 . 1 1 42 42 ASP CA C 13 52.65 0.2 . 1 . . . . . . . . . 5565 1 499 . 1 1 42 42 ASP CB C 13 38.93 0.2 . 1 . . . . . . . . . 5565 1 500 . 1 1 42 42 ASP N N 15 112.52 0.2 . 1 . . . . . . . . . 5565 1 501 . 1 1 43 43 ALA H H 1 7.45 0.2 . 1 . . . . . . . . . 5565 1 502 . 1 1 43 43 ALA HA H 1 4.73 0.2 . 1 . . . . . . . . . 5565 1 503 . 1 1 43 43 ALA HB1 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1 504 . 1 1 43 43 ALA HB2 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1 505 . 1 1 43 43 ALA HB3 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1 506 . 1 1 43 43 ALA C C 13 176.14 0.2 . 1 . . . . . . . . . 5565 1 507 . 1 1 43 43 ALA CA C 13 51.35 0.2 . 1 . . . . . . . . . 5565 1 508 . 1 1 43 43 ALA CB C 13 21.29 0.2 . 1 . . . . . . . . . 5565 1 509 . 1 1 43 43 ALA N N 15 120.02 0.2 . 1 . . . . . . . . . 5565 1 510 . 1 1 44 44 ILE H H 1 8.85 0.2 . 1 . . . . . . . . . 5565 1 511 . 1 1 44 44 ILE HA H 1 4.79 0.2 . 1 . . . . . . . . . 5565 1 512 . 1 1 44 44 ILE HB H 1 1.95 0.2 . 1 . . . . . . . . . 5565 1 513 . 1 1 44 44 ILE HG12 H 1 1.89 0.2 . 2 . . . . . . . . . 5565 1 514 . 1 1 44 44 ILE HG13 H 1 1.09 0.2 . 2 . . . . . . . . . 5565 1 515 . 1 1 44 44 ILE HG21 H 1 0.91 0.2 . 1 . . . . . . . . . 5565 1 516 . 1 1 44 44 ILE HG22 H 1 0.91 0.2 . 1 . . . . . . . . . 5565 1 517 . 1 1 44 44 ILE HG23 H 1 0.91 0.2 . 1 . . . . . . . . . 5565 1 518 . 1 1 44 44 ILE HD11 H 1 0.98 0.2 . 1 . . . . . . . . . 5565 1 519 . 1 1 44 44 ILE HD12 H 1 0.98 0.2 . 1 . . . . . . . . . 5565 1 520 . 1 1 44 44 ILE HD13 H 1 0.98 0.2 . 1 . . . . . . . . . 5565 1 521 . 1 1 44 44 ILE C C 13 175.3 0.2 . 1 . . . . . . . . . 5565 1 522 . 1 1 44 44 ILE CA C 13 60.02 0.2 . 1 . . . . . . . . . 5565 1 523 . 1 1 44 44 ILE CB C 13 39.66 0.2 . 1 . . . . . . . . . 5565 1 524 . 1 1 44 44 ILE CG1 C 13 28.75 0.2 . 1 . . . . . . . . . 5565 1 525 . 1 1 44 44 ILE CG2 C 13 18.82 0.2 . 1 . . . . . . . . . 5565 1 526 . 1 1 44 44 ILE CD1 C 13 14.14 0.2 . 1 . . . . . . . . . 5565 1 527 . 1 1 44 44 ILE N N 15 121.9 0.2 . 1 . . . . . . . . . 5565 1 528 . 1 1 45 45 SER H H 1 8.35 0.2 . 1 . . . . . . . . . 5565 1 529 . 1 1 45 45 SER HA H 1 4.99 0.2 . 1 . . . . . . . . . 5565 1 530 . 1 1 45 45 SER HB2 H 1 3.49 0.2 . 1 . . . . . . . . . 5565 1 531 . 1 1 45 45 SER HB3 H 1 3.49 0.2 . 1 . . . . . . . . . 5565 1 532 . 1 1 45 45 SER C C 13 174.45 0.2 . 1 . . . . . . . . . 5565 1 533 . 1 1 45 45 SER CA C 13 54.2 0.2 . 1 . . . . . . . . . 5565 1 534 . 1 1 45 45 SER CB C 13 63.38 0.2 . 1 . . . . . . . . . 5565 1 535 . 1 1 45 45 SER N N 15 120.65 0.2 . 1 . . . . . . . . . 5565 1 536 . 1 1 46 46 CYS H H 1 8.47 0.2 . 1 . . . . . . . . . 5565 1 537 . 1 1 46 46 CYS HA H 1 5.16 0.2 . 1 . . . . . . . . . 5565 1 538 . 1 1 46 46 CYS HB2 H 1 2.18 0.2 . 2 . . . . . . . . . 5565 1 539 . 1 1 46 46 CYS HB3 H 1 1.72 0.2 . 2 . . . . . . . . . 5565 1 540 . 1 1 46 46 CYS C C 13 172.8 0.2 . 1 . . . . . . . . . 5565 1 541 . 1 1 46 46 CYS CA C 13 53.85 0.2 . 1 . . . . . . . . . 5565 1 542 . 1 1 46 46 CYS CB C 13 46.51 0.2 . 1 . . . . . . . . . 5565 1 543 . 1 1 46 46 CYS N N 15 123.77 0.2 . 1 . . . . . . . . . 5565 1 544 . 1 1 47 47 CYS H H 1 8.6 0.2 . 1 . . . . . . . . . 5565 1 545 . 1 1 47 47 CYS HA H 1 5.25 0.2 . 1 . . . . . . . . . 5565 1 546 . 1 1 47 47 CYS HB2 H 1 2.75 0.2 . 2 . . . . . . . . . 5565 1 547 . 1 1 47 47 CYS HB3 H 1 2.68 0.2 . 2 . . . . . . . . . 5565 1 548 . 1 1 47 47 CYS C C 13 173.63 0.2 . 1 . . . . . . . . . 5565 1 549 . 1 1 47 47 CYS CA C 13 53.85 0.2 . 1 . . . . . . . . . 5565 1 550 . 1 1 47 47 CYS CB C 13 47.22 0.2 . 1 . . . . . . . . . 5565 1 551 . 1 1 47 47 CYS N N 15 117.52 0.2 . 1 . . . . . . . . . 5565 1 552 . 1 1 48 48 ASN H H 1 8.54 0.2 . 1 . . . . . . . . . 5565 1 553 . 1 1 48 48 ASN HA H 1 4.87 0.2 . 1 . . . . . . . . . 5565 1 554 . 1 1 48 48 ASN HB2 H 1 2.98 0.2 . 1 . . . . . . . . . 5565 1 555 . 1 1 48 48 ASN HB3 H 1 2.98 0.2 . 1 . . . . . . . . . 5565 1 556 . 1 1 48 48 ASN HD21 H 1 7.53 0.2 . 2 . . . . . . . . . 5565 1 557 . 1 1 48 48 ASN HD22 H 1 6.84 0.2 . 2 . . . . . . . . . 5565 1 558 . 1 1 48 48 ASN C C 13 176.13 0.2 . 1 . . . . . . . . . 5565 1 559 . 1 1 48 48 ASN CA C 13 53.25 0.2 . 1 . . . . . . . . . 5565 1 560 . 1 1 48 48 ASN CB C 13 38.61 0.2 . 1 . . . . . . . . . 5565 1 561 . 1 1 48 48 ASN N N 15 121.9 0.2 . 1 . . . . . . . . . 5565 1 562 . 1 1 48 48 ASN ND2 N 15 112.6 0.2 . 1 . . . . . . . . . 5565 1 563 . 1 1 49 49 THR H H 1 8.35 0.2 . 1 . . . . . . . . . 5565 1 564 . 1 1 49 49 THR HA H 1 4.32 0.2 . 1 . . . . . . . . . 5565 1 565 . 1 1 49 49 THR HB H 1 4.29 0.2 . 1 . . . . . . . . . 5565 1 566 . 1 1 49 49 THR HG21 H 1 1.01 0.2 . 1 . . . . . . . . . 5565 1 567 . 1 1 49 49 THR HG22 H 1 1.01 0.2 . 1 . . . . . . . . . 5565 1 568 . 1 1 49 49 THR HG23 H 1 1.01 0.2 . 1 . . . . . . . . . 5565 1 569 . 1 1 49 49 THR C C 13 174.57 0.2 . 1 . . . . . . . . . 5565 1 570 . 1 1 49 49 THR CA C 13 60.73 0.2 . 1 . . . . . . . . . 5565 1 571 . 1 1 49 49 THR CB C 13 68.15 0.2 . 1 . . . . . . . . . 5565 1 572 . 1 1 49 49 THR CG2 C 13 21.37 0.2 . 1 . . . . . . . . . 5565 1 573 . 1 1 49 49 THR N N 15 115.02 0.2 . 1 . . . . . . . . . 5565 1 574 . 1 1 50 50 ALA H H 1 8 0.2 . 1 . . . . . . . . . 5565 1 575 . 1 1 50 50 ALA HA H 1 4.48 0.2 . 1 . . . . . . . . . 5565 1 576 . 1 1 50 50 ALA HB1 H 1 1.12 0.2 . 1 . . . . . . . . . 5565 1 577 . 1 1 50 50 ALA HB2 H 1 1.12 0.2 . 1 . . . . . . . . . 5565 1 578 . 1 1 50 50 ALA HB3 H 1 1.12 0.2 . 1 . . . . . . . . . 5565 1 579 . 1 1 50 50 ALA C C 13 176.59 0.2 . 1 . . . . . . . . . 5565 1 580 . 1 1 50 50 ALA CA C 13 50.76 0.2 . 1 . . . . . . . . . 5565 1 581 . 1 1 50 50 ALA CB C 13 19.76 0.2 . 1 . . . . . . . . . 5565 1 582 . 1 1 50 50 ALA N N 15 126.27 0.2 . 1 . . . . . . . . . 5565 1 583 . 1 1 51 51 ALA H H 1 8.37 0.2 . 1 . . . . . . . . . 5565 1 584 . 1 1 51 51 ALA HA H 1 4.42 0.2 . 1 . . . . . . . . . 5565 1 585 . 1 1 51 51 ALA HB1 H 1 1.37 0.2 . 1 . . . . . . . . . 5565 1 586 . 1 1 51 51 ALA HB2 H 1 1.37 0.2 . 1 . . . . . . . . . 5565 1 587 . 1 1 51 51 ALA HB3 H 1 1.37 0.2 . 1 . . . . . . . . . 5565 1 588 . 1 1 51 51 ALA C C 13 177.55 0.2 . 1 . . . . . . . . . 5565 1 589 . 1 1 51 51 ALA CA C 13 51.61 0.2 . 1 . . . . . . . . . 5565 1 590 . 1 1 51 51 ALA CB C 13 18.49 0.2 . 1 . . . . . . . . . 5565 1 591 . 1 1 51 51 ALA N N 15 125.65 0.2 . 1 . . . . . . . . . 5565 1 592 . 1 1 52 52 ILE H H 1 8.88 0.2 . 1 . . . . . . . . . 5565 1 593 . 1 1 52 52 ILE HA H 1 4.3 0.2 . 1 . . . . . . . . . 5565 1 594 . 1 1 52 52 ILE HB H 1 1.81 0.2 . 1 . . . . . . . . . 5565 1 595 . 1 1 52 52 ILE HG12 H 1 1.14 0.2 . 1 . . . . . . . . . 5565 1 596 . 1 1 52 52 ILE HG13 H 1 1.14 0.2 . 1 . . . . . . . . . 5565 1 597 . 1 1 52 52 ILE HG21 H 1 0.7 0.2 . 1 . . . . . . . . . 5565 1 598 . 1 1 52 52 ILE HG22 H 1 0.7 0.2 . 1 . . . . . . . . . 5565 1 599 . 1 1 52 52 ILE HG23 H 1 0.7 0.2 . 1 . . . . . . . . . 5565 1 600 . 1 1 52 52 ILE HD11 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1 601 . 1 1 52 52 ILE HD12 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1 602 . 1 1 52 52 ILE HD13 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1 603 . 1 1 52 52 ILE C C 13 174.41 0.2 . 1 . . . . . . . . . 5565 1 604 . 1 1 52 52 ILE CA C 13 57.13 0.2 . 1 . . . . . . . . . 5565 1 605 . 1 1 52 52 ILE CB C 13 39.1 0.2 . 1 . . . . . . . . . 5565 1 606 . 1 1 52 52 ILE CG1 C 13 26.05 0.2 . 1 . . . . . . . . . 5565 1 607 . 1 1 52 52 ILE CG2 C 13 15.99 0.2 . 1 . . . . . . . . . 5565 1 608 . 1 1 52 52 ILE CD1 C 13 12.3 0.2 . 1 . . . . . . . . . 5565 1 609 . 1 1 52 52 ILE N N 15 124.4 0.2 . 1 . . . . . . . . . 5565 1 610 . 1 1 53 53 PRO HA H 1 4.06 0.2 . 1 . . . . . . . . . 5565 1 611 . 1 1 53 53 PRO HB2 H 1 1.22 0.2 . 2 . . . . . . . . . 5565 1 612 . 1 1 53 53 PRO HB3 H 1 1.06 0.2 . 2 . . . . . . . . . 5565 1 613 . 1 1 53 53 PRO HG2 H 1 1.67 0.2 . 2 . . . . . . . . . 5565 1 614 . 1 1 53 53 PRO HG3 H 1 1.37 0.2 . 2 . . . . . . . . . 5565 1 615 . 1 1 53 53 PRO HD2 H 1 3.77 0.2 . 2 . . . . . . . . . 5565 1 616 . 1 1 53 53 PRO HD3 H 1 3.12 0.2 . 2 . . . . . . . . . 5565 1 617 . 1 1 53 53 PRO C C 13 175.78 0.2 . 1 . . . . . . . . . 5565 1 618 . 1 1 53 53 PRO CA C 13 60.7 0.2 . 1 . . . . . . . . . 5565 1 619 . 1 1 53 53 PRO CB C 13 31.4 0.2 . 1 . . . . . . . . . 5565 1 620 . 1 1 53 53 PRO CG C 13 26.06 0.2 . 1 . . . . . . . . . 5565 1 621 . 1 1 53 53 PRO CD C 13 49.2 0.2 . 1 . . . . . . . . . 5565 1 622 . 1 1 54 54 THR H H 1 8.22 0.2 . 1 . . . . . . . . . 5565 1 623 . 1 1 54 54 THR HA H 1 4.46 0.2 . 1 . . . . . . . . . 5565 1 624 . 1 1 54 54 THR HB H 1 3.91 0.2 . 1 . . . . . . . . . 5565 1 625 . 1 1 54 54 THR HG21 H 1 0.85 0.2 . 1 . . . . . . . . . 5565 1 626 . 1 1 54 54 THR HG22 H 1 0.85 0.2 . 1 . . . . . . . . . 5565 1 627 . 1 1 54 54 THR HG23 H 1 0.85 0.2 . 1 . . . . . . . . . 5565 1 628 . 1 1 54 54 THR C C 13 174.04 0.2 . 1 . . . . . . . . . 5565 1 629 . 1 1 54 54 THR CA C 13 59 0.2 . 1 . . . . . . . . . 5565 1 630 . 1 1 54 54 THR CB C 13 69.94 0.2 . 1 . . . . . . . . . 5565 1 631 . 1 1 54 54 THR CG2 C 13 19.96 0.2 . 1 . . . . . . . . . 5565 1 632 . 1 1 54 54 THR N N 15 112.52 0.2 . 1 . . . . . . . . . 5565 1 633 . 1 1 55 55 GLY H H 1 8.11 0.2 . 1 . . . . . . . . . 5565 1 634 . 1 1 55 55 GLY HA2 H 1 3.61 0.2 . 2 . . . . . . . . . 5565 1 635 . 1 1 55 55 GLY HA3 H 1 4.14 0.2 . 2 . . . . . . . . . 5565 1 636 . 1 1 55 55 GLY C C 13 173.52 0.2 . 1 . . . . . . . . . 5565 1 637 . 1 1 55 55 GLY CA C 13 45.51 0.2 . 1 . . . . . . . . . 5565 1 638 . 1 1 55 55 GLY N N 15 109.4 0.2 . 1 . . . . . . . . . 5565 1 639 . 1 1 56 56 TYR H H 1 6.91 0.2 . 1 . . . . . . . . . 5565 1 640 . 1 1 56 56 TYR HA H 1 4.9 0.2 . 1 . . . . . . . . . 5565 1 641 . 1 1 56 56 TYR HB2 H 1 2.8 0.2 . 1 . . . . . . . . . 5565 1 642 . 1 1 56 56 TYR HB3 H 1 2.8 0.2 . 1 . . . . . . . . . 5565 1 643 . 1 1 56 56 TYR HD1 H 1 6.35 0.2 . 1 . . . . . . . . . 5565 1 644 . 1 1 56 56 TYR HE1 H 1 6.42 0.2 . 1 . . . . . . . . . 5565 1 645 . 1 1 56 56 TYR HE2 H 1 6.42 0.2 . 1 . . . . . . . . . 5565 1 646 . 1 1 56 56 TYR HD2 H 1 6.35 0.2 . 1 . . . . . . . . . 5565 1 647 . 1 1 56 56 TYR C C 13 173.8 0.2 . 1 . . . . . . . . . 5565 1 648 . 1 1 56 56 TYR CA C 13 53.25 0.2 . 1 . . . . . . . . . 5565 1 649 . 1 1 56 56 TYR CB C 13 40.25 0.2 . 1 . . . . . . . . . 5565 1 650 . 1 1 56 56 TYR CD1 C 13 133.26 0.2 . 1 . . . . . . . . . 5565 1 651 . 1 1 56 56 TYR CE1 C 13 117.67 0.2 . 1 . . . . . . . . . 5565 1 652 . 1 1 56 56 TYR CD2 C 13 133.26 0.2 . 1 . . . . . . . . . 5565 1 653 . 1 1 56 56 TYR CE2 C 13 117.67 0.2 . 1 . . . . . . . . . 5565 1 654 . 1 1 56 56 TYR N N 15 115.02 0.2 . 1 . . . . . . . . . 5565 1 655 . 1 1 57 57 ASP H H 1 8.18 0.2 . 1 . . . . . . . . . 5565 1 656 . 1 1 57 57 ASP HA H 1 4.57 0.2 . 1 . . . . . . . . . 5565 1 657 . 1 1 57 57 ASP HB2 H 1 2.64 0.2 . 1 . . . . . . . . . 5565 1 658 . 1 1 57 57 ASP HB3 H 1 2.64 0.2 . 1 . . . . . . . . . 5565 1 659 . 1 1 57 57 ASP C C 13 172.51 0.2 . 1 . . . . . . . . . 5565 1 660 . 1 1 57 57 ASP CA C 13 53.6 0.2 . 1 . . . . . . . . . 5565 1 661 . 1 1 57 57 ASP CB C 13 40.13 0.2 . 1 . . . . . . . . . 5565 1 662 . 1 1 57 57 ASP N N 15 120.02 0.2 . 1 . . . . . . . . . 5565 1 663 . 1 1 58 58 THR H H 1 8.05 0.2 . 1 . . . . . . . . . 5565 1 664 . 1 1 58 58 THR HA H 1 4.16 0.2 . 1 . . . . . . . . . 5565 1 665 . 1 1 58 58 THR HB H 1 4.35 0.2 . 1 . . . . . . . . . 5565 1 666 . 1 1 58 58 THR HG21 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1 667 . 1 1 58 58 THR HG22 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1 668 . 1 1 58 58 THR HG23 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1 669 . 1 1 58 58 THR C C 13 175.95 0.2 . 1 . . . . . . . . . 5565 1 670 . 1 1 58 58 THR CA C 13 62.35 0.2 . 1 . . . . . . . . . 5565 1 671 . 1 1 58 58 THR CB C 13 67.61 0.2 . 1 . . . . . . . . . 5565 1 672 . 1 1 58 58 THR CG2 C 13 20.8 0.2 . 1 . . . . . . . . . 5565 1 673 . 1 1 58 58 THR N N 15 118.77 0.2 . 1 . . . . . . . . . 5565 1 674 . 1 1 59 59 ASN H H 1 8.48 0.2 . 1 . . . . . . . . . 5565 1 675 . 1 1 59 59 ASN HA H 1 4.65 0.2 . 1 . . . . . . . . . 5565 1 676 . 1 1 59 59 ASN HB2 H 1 2.93 0.2 . 2 . . . . . . . . . 5565 1 677 . 1 1 59 59 ASN HB3 H 1 2.79 0.2 . 2 . . . . . . . . . 5565 1 678 . 1 1 59 59 ASN HD21 H 1 7.85 0.2 . 2 . . . . . . . . . 5565 1 679 . 1 1 59 59 ASN HD22 H 1 6.94 0.2 . 2 . . . . . . . . . 5565 1 680 . 1 1 59 59 ASN C C 13 177.75 0.2 . 1 . . . . . . . . . 5565 1 681 . 1 1 59 59 ASN CA C 13 54.37 0.2 . 1 . . . . . . . . . 5565 1 682 . 1 1 59 59 ASN CB C 13 38.04 0.2 . 1 . . . . . . . . . 5565 1 683 . 1 1 59 59 ASN N N 15 118.77 0.2 . 1 . . . . . . . . . 5565 1 684 . 1 1 59 59 ASN ND2 N 15 115.01 0.2 . 1 . . . . . . . . . 5565 1 685 . 1 1 60 60 LYS H H 1 7.6 0.2 . 1 . . . . . . . . . 5565 1 686 . 1 1 60 60 LYS HA H 1 4.25 0.2 . 1 . . . . . . . . . 5565 1 687 . 1 1 60 60 LYS HB2 H 1 1.75 0.2 . 1 . . . . . . . . . 5565 1 688 . 1 1 60 60 LYS HB3 H 1 1.75 0.2 . 1 . . . . . . . . . 5565 1 689 . 1 1 60 60 LYS HG2 H 1 1.46 0.2 . 1 . . . . . . . . . 5565 1 690 . 1 1 60 60 LYS HG3 H 1 1.46 0.2 . 1 . . . . . . . . . 5565 1 691 . 1 1 60 60 LYS HD2 H 1 1.65 0.2 . 1 . . . . . . . . . 5565 1 692 . 1 1 60 60 LYS HD3 H 1 1.65 0.2 . 1 . . . . . . . . . 5565 1 693 . 1 1 60 60 LYS C C 13 177.17 0.2 . 1 . . . . . . . . . 5565 1 694 . 1 1 60 60 LYS CA C 13 56.49 0.2 . 1 . . . . . . . . . 5565 1 695 . 1 1 60 60 LYS CB C 13 34.97 0.2 . 1 . . . . . . . . . 5565 1 696 . 1 1 60 60 LYS CG C 13 24.66 0.2 . 1 . . . . . . . . . 5565 1 697 . 1 1 60 60 LYS CD C 13 28.38 0.2 . 1 . . . . . . . . . 5565 1 698 . 1 1 60 60 LYS CE C 13 40.95 0.2 . 1 . . . . . . . . . 5565 1 699 . 1 1 60 60 LYS N N 15 118.15 0.2 . 1 . . . . . . . . . 5565 1 700 . 1 1 61 61 CYS H H 1 8.27 0.2 . 1 . . . . . . . . . 5565 1 701 . 1 1 61 61 CYS HA H 1 5.41 0.2 . 1 . . . . . . . . . 5565 1 702 . 1 1 61 61 CYS HB2 H 1 3.57 0.2 . 2 . . . . . . . . . 5565 1 703 . 1 1 61 61 CYS HB3 H 1 2.59 0.2 . 2 . . . . . . . . . 5565 1 704 . 1 1 61 61 CYS C C 13 171.35 0.2 . 1 . . . . . . . . . 5565 1 705 . 1 1 61 61 CYS CA C 13 55.62 0.2 . 1 . . . . . . . . . 5565 1 706 . 1 1 61 61 CYS CB C 13 49.02 0.2 . 1 . . . . . . . . . 5565 1 707 . 1 1 61 61 CYS N N 15 116.9 0.2 . 1 . . . . . . . . . 5565 1 708 . 1 1 62 62 GLN H H 1 9.42 0.2 . 1 . . . . . . . . . 5565 1 709 . 1 1 62 62 GLN HA H 1 4.79 0.2 . 1 . . . . . . . . . 5565 1 710 . 1 1 62 62 GLN HB2 H 1 1.72 0.2 . 1 . . . . . . . . . 5565 1 711 . 1 1 62 62 GLN HB3 H 1 1.72 0.2 . 1 . . . . . . . . . 5565 1 712 . 1 1 62 62 GLN HG2 H 1 2.05 0.2 . 1 . . . . . . . . . 5565 1 713 . 1 1 62 62 GLN HG3 H 1 2.05 0.2 . 1 . . . . . . . . . 5565 1 714 . 1 1 62 62 GLN HE21 H 1 6.99 0.2 . 2 . . . . . . . . . 5565 1 715 . 1 1 62 62 GLN HE22 H 1 6.86 0.2 . 2 . . . . . . . . . 5565 1 716 . 1 1 62 62 GLN C C 13 172.7 0.2 . 1 . . . . . . . . . 5565 1 717 . 1 1 62 62 GLN CA C 13 52.31 0.2 . 1 . . . . . . . . . 5565 1 718 . 1 1 62 62 GLN CB C 13 31.19 0.2 . 1 . . . . . . . . . 5565 1 719 . 1 1 62 62 GLN CG C 13 31.19 0.2 . 1 . . . . . . . . . 5565 1 720 . 1 1 62 62 GLN N N 15 116.9 0.2 . 1 . . . . . . . . . 5565 1 721 . 1 1 62 62 GLN NE2 N 15 110.89 0.2 . 1 . . . . . . . . . 5565 1 722 . 1 1 63 63 LYS H H 1 8.35 0.2 . 1 . . . . . . . . . 5565 1 723 . 1 1 63 63 LYS HA H 1 5.25 0.2 . 1 . . . . . . . . . 5565 1 724 . 1 1 63 63 LYS HB2 H 1 1.46 0.2 . 2 . . . . . . . . . 5565 1 725 . 1 1 63 63 LYS HB3 H 1 1.32 0.2 . 2 . . . . . . . . . 5565 1 726 . 1 1 63 63 LYS HG2 H 1 1.44 0.2 . 2 . . . . . . . . . 5565 1 727 . 1 1 63 63 LYS HG3 H 1 1.21 0.2 . 2 . . . . . . . . . 5565 1 728 . 1 1 63 63 LYS HD2 H 1 1.33 0.2 . 2 . . . . . . . . . 5565 1 729 . 1 1 63 63 LYS HD3 H 1 0.51 0.2 . 2 . . . . . . . . . 5565 1 730 . 1 1 63 63 LYS C C 13 174.45 0.2 . 1 . . . . . . . . . 5565 1 731 . 1 1 63 63 LYS CA C 13 53.1 0.2 . 1 . . . . . . . . . 5565 1 732 . 1 1 63 63 LYS CB C 13 33.87 0.2 . 1 . . . . . . . . . 5565 1 733 . 1 1 63 63 LYS CG C 13 23.07 0.2 . 1 . . . . . . . . . 5565 1 734 . 1 1 63 63 LYS CD C 13 28.62 0.2 . 1 . . . . . . . . . 5565 1 735 . 1 1 63 63 LYS CE C 13 40.96 0.2 . 1 . . . . . . . . . 5565 1 736 . 1 1 63 63 LYS N N 15 120.65 0.2 . 1 . . . . . . . . . 5565 1 737 . 1 1 64 64 ILE H H 1 9.11 0.2 . 1 . . . . . . . . . 5565 1 738 . 1 1 64 64 ILE HA H 1 4.41 0.2 . 1 . . . . . . . . . 5565 1 739 . 1 1 64 64 ILE HB H 1 1.77 0.2 . 1 . . . . . . . . . 5565 1 740 . 1 1 64 64 ILE HG12 H 1 1.37 0.2 . 2 . . . . . . . . . 5565 1 741 . 1 1 64 64 ILE HG13 H 1 1.03 0.2 . 2 . . . . . . . . . 5565 1 742 . 1 1 64 64 ILE HG21 H 1 0.76 0.2 . 1 . . . . . . . . . 5565 1 743 . 1 1 64 64 ILE HG22 H 1 0.76 0.2 . 1 . . . . . . . . . 5565 1 744 . 1 1 64 64 ILE HG23 H 1 0.76 0.2 . 1 . . . . . . . . . 5565 1 745 . 1 1 64 64 ILE HD11 H 1 0.7 0.2 . 1 . . . . . . . . . 5565 1 746 . 1 1 64 64 ILE HD12 H 1 0.7 0.2 . 1 . . . . . . . . . 5565 1 747 . 1 1 64 64 ILE HD13 H 1 0.7 0.2 . 1 . . . . . . . . . 5565 1 748 . 1 1 64 64 ILE C C 13 175.28 0.2 . 1 . . . . . . . . . 5565 1 749 . 1 1 64 64 ILE CA C 13 59.07 0.2 . 1 . . . . . . . . . 5565 1 750 . 1 1 64 64 ILE CB C 13 39.9 0.2 . 1 . . . . . . . . . 5565 1 751 . 1 1 64 64 ILE CG1 C 13 26.06 0.2 . 1 . . . . . . . . . 5565 1 752 . 1 1 64 64 ILE CG2 C 13 16.4 0.2 . 1 . . . . . . . . . 5565 1 753 . 1 1 64 64 ILE CD1 C 13 12.21 0.2 . 1 . . . . . . . . . 5565 1 754 . 1 1 64 64 ILE N N 15 123.15 0.2 . 1 . . . . . . . . . 5565 1 755 . 1 1 65 65 LEU H H 1 8.86 0.2 . 1 . . . . . . . . . 5565 1 756 . 1 1 65 65 LEU HA H 1 3.8 0.2 . 1 . . . . . . . . . 5565 1 757 . 1 1 65 65 LEU HB2 H 1 1.64 0.2 . 2 . . . . . . . . . 5565 1 758 . 1 1 65 65 LEU HB3 H 1 0.99 0.2 . 2 . . . . . . . . . 5565 1 759 . 1 1 65 65 LEU HG H 1 0.82 0.2 . 1 . . . . . . . . . 5565 1 760 . 1 1 65 65 LEU HD11 H 1 0.59 0.2 . 2 . . . . . . . . . 5565 1 761 . 1 1 65 65 LEU HD12 H 1 0.59 0.2 . 2 . . . . . . . . . 5565 1 762 . 1 1 65 65 LEU HD13 H 1 0.59 0.2 . 2 . . . . . . . . . 5565 1 763 . 1 1 65 65 LEU HD21 H 1 -0.1 0.2 . 2 . . . . . . . . . 5565 1 764 . 1 1 65 65 LEU HD22 H 1 -0.1 0.2 . 2 . . . . . . . . . 5565 1 765 . 1 1 65 65 LEU HD23 H 1 -0.1 0.2 . 2 . . . . . . . . . 5565 1 766 . 1 1 65 65 LEU C C 13 175.12 0.2 . 1 . . . . . . . . . 5565 1 767 . 1 1 65 65 LEU CA C 13 53.62 0.2 . 1 . . . . . . . . . 5565 1 768 . 1 1 65 65 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . . 5565 1 769 . 1 1 65 65 LEU CG C 13 25.53 0.2 . 1 . . . . . . . . . 5565 1 770 . 1 1 65 65 LEU CD1 C 13 25.53 0.2 . 2 . . . . . . . . . 5565 1 771 . 1 1 65 65 LEU CD2 C 13 20.26 0.2 . 2 . . . . . . . . . 5565 1 772 . 1 1 65 65 LEU N N 15 130.65 0.2 . 1 . . . . . . . . . 5565 1 773 . 1 1 66 66 ASN H H 1 8.74 0.2 . 1 . . . . . . . . . 5565 1 774 . 1 1 66 66 ASN HA H 1 4.72 0.2 . 1 . . . . . . . . . 5565 1 775 . 1 1 66 66 ASN HB2 H 1 3.22 0.2 . 2 . . . . . . . . . 5565 1 776 . 1 1 66 66 ASN HB3 H 1 2.65 0.2 . 2 . . . . . . . . . 5565 1 777 . 1 1 66 66 ASN HD21 H 1 7.94 0.2 . 2 . . . . . . . . . 5565 1 778 . 1 1 66 66 ASN HD22 H 1 6.77 0.2 . 2 . . . . . . . . . 5565 1 779 . 1 1 66 66 ASN C C 13 176.28 0.2 . 1 . . . . . . . . . 5565 1 780 . 1 1 66 66 ASN CA C 13 51.2 0.2 . 1 . . . . . . . . . 5565 1 781 . 1 1 66 66 ASN CB C 13 37.49 0.2 . 1 . . . . . . . . . 5565 1 782 . 1 1 66 66 ASN N N 15 126.9 0.2 . 1 . . . . . . . . . 5565 1 783 . 1 1 66 66 ASN ND2 N 15 113.67 0.2 . 1 . . . . . . . . . 5565 1 784 . 1 1 67 67 LYS H H 1 8.82 0.2 . 1 . . . . . . . . . 5565 1 785 . 1 1 67 67 LYS HA H 1 3.9 0.2 . 1 . . . . . . . . . 5565 1 786 . 1 1 67 67 LYS HB2 H 1 1.99 0.2 . 1 . . . . . . . . . 5565 1 787 . 1 1 67 67 LYS HB3 H 1 1.99 0.2 . 1 . . . . . . . . . 5565 1 788 . 1 1 67 67 LYS HG2 H 1 1.46 0.2 . 2 . . . . . . . . . 5565 1 789 . 1 1 67 67 LYS HG3 H 1 1.22 0.2 . 2 . . . . . . . . . 5565 1 790 . 1 1 67 67 LYS HD2 H 1 1.67 0.2 . 1 . . . . . . . . . 5565 1 791 . 1 1 67 67 LYS HD3 H 1 1.67 0.2 . 1 . . . . . . . . . 5565 1 792 . 1 1 67 67 LYS C C 13 176.32 0.2 . 1 . . . . . . . . . 5565 1 793 . 1 1 67 67 LYS CA C 13 57.73 0.2 . 1 . . . . . . . . . 5565 1 794 . 1 1 67 67 LYS CB C 13 31.3 0.2 . 1 . . . . . . . . . 5565 1 795 . 1 1 67 67 LYS CG C 13 25.72 0.2 . 1 . . . . . . . . . 5565 1 796 . 1 1 67 67 LYS CD C 13 28.47 0.2 . 1 . . . . . . . . . 5565 1 797 . 1 1 67 67 LYS CE C 13 41.27 0.2 . 1 . . . . . . . . . 5565 1 798 . 1 1 67 67 LYS N N 15 125.02 0.2 . 1 . . . . . . . . . 5565 1 799 . 1 1 68 68 LYS H H 1 8.33 0.2 . 1 . . . . . . . . . 5565 1 800 . 1 1 68 68 LYS HA H 1 4.17 0.2 . 1 . . . . . . . . . 5565 1 801 . 1 1 68 68 LYS HB2 H 1 1.91 0.2 . 1 . . . . . . . . . 5565 1 802 . 1 1 68 68 LYS HB3 H 1 1.91 0.2 . 1 . . . . . . . . . 5565 1 803 . 1 1 68 68 LYS HG2 H 1 1.47 0.2 . 2 . . . . . . . . . 5565 1 804 . 1 1 68 68 LYS HG3 H 1 1.36 0.2 . 2 . . . . . . . . . 5565 1 805 . 1 1 68 68 LYS HD2 H 1 1.65 0.2 . 1 . . . . . . . . . 5565 1 806 . 1 1 68 68 LYS HD3 H 1 1.65 0.2 . 1 . . . . . . . . . 5565 1 807 . 1 1 68 68 LYS C C 13 178.38 0.2 . 1 . . . . . . . . . 5565 1 808 . 1 1 68 68 LYS CA C 13 57.91 0.2 . 1 . . . . . . . . . 5565 1 809 . 1 1 68 68 LYS CB C 13 31.39 0.2 . 1 . . . . . . . . . 5565 1 810 . 1 1 68 68 LYS CG C 13 24.31 0.2 . 1 . . . . . . . . . 5565 1 811 . 1 1 68 68 LYS CD C 13 28.06 0.2 . 1 . . . . . . . . . 5565 1 812 . 1 1 68 68 LYS CE C 13 41.11 0.2 . 1 . . . . . . . . . 5565 1 813 . 1 1 68 68 LYS N N 15 118.15 0.2 . 1 . . . . . . . . . 5565 1 814 . 1 1 69 69 THR H H 1 7.06 0.2 . 1 . . . . . . . . . 5565 1 815 . 1 1 69 69 THR HA H 1 4.25 0.2 . 1 . . . . . . . . . 5565 1 816 . 1 1 69 69 THR HB H 1 4.25 0.2 . 1 . . . . . . . . . 5565 1 817 . 1 1 69 69 THR HG21 H 1 1.01 0.2 . 1 . . . . . . . . . 5565 1 818 . 1 1 69 69 THR HG22 H 1 1.01 0.2 . 1 . . . . . . . . . 5565 1 819 . 1 1 69 69 THR HG23 H 1 1.01 0.2 . 1 . . . . . . . . . 5565 1 820 . 1 1 69 69 THR C C 13 175.04 0.2 . 1 . . . . . . . . . 5565 1 821 . 1 1 69 69 THR CA C 13 59.83 0.2 . 1 . . . . . . . . . 5565 1 822 . 1 1 69 69 THR CB C 13 68.27 0.2 . 1 . . . . . . . . . 5565 1 823 . 1 1 69 69 THR CG2 C 13 21.02 0.2 . 1 . . . . . . . . . 5565 1 824 . 1 1 69 69 THR N N 15 104.4 0.2 . 1 . . . . . . . . . 5565 1 825 . 1 1 70 70 CYS H H 1 8.2 0.2 . 1 . . . . . . . . . 5565 1 826 . 1 1 70 70 CYS HA H 1 4.22 0.2 . 1 . . . . . . . . . 5565 1 827 . 1 1 70 70 CYS HB2 H 1 2.95 0.2 . 2 . . . . . . . . . 5565 1 828 . 1 1 70 70 CYS HB3 H 1 2.87 0.2 . 2 . . . . . . . . . 5565 1 829 . 1 1 70 70 CYS C C 13 173.55 0.2 . 1 . . . . . . . . . 5565 1 830 . 1 1 70 70 CYS CA C 13 54.32 0.2 . 1 . . . . . . . . . 5565 1 831 . 1 1 70 70 CYS CB C 13 34.64 0.2 . 1 . . . . . . . . . 5565 1 832 . 1 1 70 70 CYS N N 15 119.4 0.2 . 1 . . . . . . . . . 5565 1 833 . 1 1 71 71 THR H H 1 7.36 0.2 . 1 . . . . . . . . . 5565 1 834 . 1 1 71 71 THR HA H 1 4.7 0.2 . 1 . . . . . . . . . 5565 1 835 . 1 1 71 71 THR HB H 1 4 0.2 . 1 . . . . . . . . . 5565 1 836 . 1 1 71 71 THR HG21 H 1 1.1 0.2 . 1 . . . . . . . . . 5565 1 837 . 1 1 71 71 THR HG22 H 1 1.1 0.2 . 1 . . . . . . . . . 5565 1 838 . 1 1 71 71 THR HG23 H 1 1.1 0.2 . 1 . . . . . . . . . 5565 1 839 . 1 1 71 71 THR C C 13 173.68 0.2 . 1 . . . . . . . . . 5565 1 840 . 1 1 71 71 THR CA C 13 58.49 0.2 . 1 . . . . . . . . . 5565 1 841 . 1 1 71 71 THR CB C 13 71.23 0.2 . 1 . . . . . . . . . 5565 1 842 . 1 1 71 71 THR CG2 C 13 20.93 0.2 . 1 . . . . . . . . . 5565 1 843 . 1 1 71 71 THR N N 15 107.52 0.2 . 1 . . . . . . . . . 5565 1 844 . 1 1 72 72 TYR H H 1 9.48 0.2 . 1 . . . . . . . . . 5565 1 845 . 1 1 72 72 TYR HA H 1 5.33 0.2 . 1 . . . . . . . . . 5565 1 846 . 1 1 72 72 TYR HB2 H 1 3.04 0.2 . 2 . . . . . . . . . 5565 1 847 . 1 1 72 72 TYR HB3 H 1 2.73 0.2 . 2 . . . . . . . . . 5565 1 848 . 1 1 72 72 TYR HD1 H 1 7.12 0.2 . 1 . . . . . . . . . 5565 1 849 . 1 1 72 72 TYR HE1 H 1 6.69 0.2 . 1 . . . . . . . . . 5565 1 850 . 1 1 72 72 TYR HE2 H 1 6.69 0.2 . 1 . . . . . . . . . 5565 1 851 . 1 1 72 72 TYR HD2 H 1 7.12 0.2 . 1 . . . . . . . . . 5565 1 852 . 1 1 72 72 TYR C C 13 176.54 0.2 . 1 . . . . . . . . . 5565 1 853 . 1 1 72 72 TYR CA C 13 58.52 0.2 . 1 . . . . . . . . . 5565 1 854 . 1 1 72 72 TYR CB C 13 40.69 0.2 . 1 . . . . . . . . . 5565 1 855 . 1 1 72 72 TYR CD1 C 13 133.46 0.2 . 1 . . . . . . . . . 5565 1 856 . 1 1 72 72 TYR CE1 C 13 118.73 0.2 . 1 . . . . . . . . . 5565 1 857 . 1 1 72 72 TYR CD2 C 13 133.46 0.2 . 1 . . . . . . . . . 5565 1 858 . 1 1 72 72 TYR CE2 C 13 118.73 0.2 . 1 . . . . . . . . . 5565 1 859 . 1 1 72 72 TYR N N 15 122.52 0.2 . 1 . . . . . . . . . 5565 1 860 . 1 1 73 73 THR H H 1 8.72 0.2 . 1 . . . . . . . . . 5565 1 861 . 1 1 73 73 THR HA H 1 4.64 0.2 . 1 . . . . . . . . . 5565 1 862 . 1 1 73 73 THR HB H 1 4.02 0.2 . 1 . . . . . . . . . 5565 1 863 . 1 1 73 73 THR HG21 H 1 1.19 0.2 . 1 . . . . . . . . . 5565 1 864 . 1 1 73 73 THR HG22 H 1 1.19 0.2 . 1 . . . . . . . . . 5565 1 865 . 1 1 73 73 THR HG23 H 1 1.19 0.2 . 1 . . . . . . . . . 5565 1 866 . 1 1 73 73 THR C C 13 172.95 0.2 . 1 . . . . . . . . . 5565 1 867 . 1 1 73 73 THR CA C 13 59.46 0.2 . 1 . . . . . . . . . 5565 1 868 . 1 1 73 73 THR CB C 13 70.07 0.2 . 1 . . . . . . . . . 5565 1 869 . 1 1 73 73 THR CG2 C 13 21.14 0.2 . 1 . . . . . . . . . 5565 1 870 . 1 1 73 73 THR N N 15 113.77 0.2 . 1 . . . . . . . . . 5565 1 871 . 1 1 74 74 VAL H H 1 8.42 0.2 . 1 . . . . . . . . . 5565 1 872 . 1 1 74 74 VAL HA H 1 4.68 0.2 . 1 . . . . . . . . . 5565 1 873 . 1 1 74 74 VAL HB H 1 1.59 0.2 . 1 . . . . . . . . . 5565 1 874 . 1 1 74 74 VAL HG11 H 1 -0.02 0.2 . 2 . . . . . . . . . 5565 1 875 . 1 1 74 74 VAL HG12 H 1 -0.02 0.2 . 2 . . . . . . . . . 5565 1 876 . 1 1 74 74 VAL HG13 H 1 -0.02 0.2 . 2 . . . . . . . . . 5565 1 877 . 1 1 74 74 VAL HG21 H 1 0.19 0.2 . 2 . . . . . . . . . 5565 1 878 . 1 1 74 74 VAL HG22 H 1 0.19 0.2 . 2 . . . . . . . . . 5565 1 879 . 1 1 74 74 VAL HG23 H 1 0.19 0.2 . 2 . . . . . . . . . 5565 1 880 . 1 1 74 74 VAL C C 13 175.42 0.2 . 1 . . . . . . . . . 5565 1 881 . 1 1 74 74 VAL CA C 13 60.73 0.2 . 1 . . . . . . . . . 5565 1 882 . 1 1 74 74 VAL CB C 13 31.05 0.2 . 1 . . . . . . . . . 5565 1 883 . 1 1 74 74 VAL CG1 C 13 21.1 0.2 . 1 . . . . . . . . . 5565 1 884 . 1 1 74 74 VAL CG2 C 13 21.1 0.2 . 1 . . . . . . . . . 5565 1 885 . 1 1 74 74 VAL N N 15 123.77 0.2 . 1 . . . . . . . . . 5565 1 886 . 1 1 75 75 VAL H H 1 8.43 0.2 . 1 . . . . . . . . . 5565 1 887 . 1 1 75 75 VAL HA H 1 5.22 0.2 . 1 . . . . . . . . . 5565 1 888 . 1 1 75 75 VAL HB H 1 2.26 0.2 . 1 . . . . . . . . . 5565 1 889 . 1 1 75 75 VAL HG11 H 1 0.75 0.2 . 2 . . . . . . . . . 5565 1 890 . 1 1 75 75 VAL HG12 H 1 0.75 0.2 . 2 . . . . . . . . . 5565 1 891 . 1 1 75 75 VAL HG13 H 1 0.75 0.2 . 2 . . . . . . . . . 5565 1 892 . 1 1 75 75 VAL HG21 H 1 0.7 0.2 . 2 . . . . . . . . . 5565 1 893 . 1 1 75 75 VAL HG22 H 1 0.7 0.2 . 2 . . . . . . . . . 5565 1 894 . 1 1 75 75 VAL HG23 H 1 0.7 0.2 . 2 . . . . . . . . . 5565 1 895 . 1 1 75 75 VAL C C 13 175.83 0.2 . 1 . . . . . . . . . 5565 1 896 . 1 1 75 75 VAL CA C 13 57.46 0.2 . 1 . . . . . . . . . 5565 1 897 . 1 1 75 75 VAL CB C 13 35.42 0.2 . 1 . . . . . . . . . 5565 1 898 . 1 1 75 75 VAL CG1 C 13 20.74 0.2 . 2 . . . . . . . . . 5565 1 899 . 1 1 75 75 VAL CG2 C 13 17.52 0.2 . 2 . . . . . . . . . 5565 1 900 . 1 1 75 75 VAL N N 15 119.4 0.2 . 1 . . . . . . . . . 5565 1 901 . 1 1 76 76 GLU H H 1 8.34 0.2 . 1 . . . . . . . . . 5565 1 902 . 1 1 76 76 GLU HA H 1 4.3 0.2 . 1 . . . . . . . . . 5565 1 903 . 1 1 76 76 GLU HB2 H 1 2.08 0.2 . 1 . . . . . . . . . 5565 1 904 . 1 1 76 76 GLU HB3 H 1 2.08 0.2 . 1 . . . . . . . . . 5565 1 905 . 1 1 76 76 GLU HG2 H 1 2.37 0.2 . 1 . . . . . . . . . 5565 1 906 . 1 1 76 76 GLU HG3 H 1 2.37 0.2 . 1 . . . . . . . . . 5565 1 907 . 1 1 76 76 GLU C C 13 178.09 0.2 . 1 . . . . . . . . . 5565 1 908 . 1 1 76 76 GLU CA C 13 56.87 0.2 . 1 . . . . . . . . . 5565 1 909 . 1 1 76 76 GLU CB C 13 28.55 0.2 . 1 . . . . . . . . . 5565 1 910 . 1 1 76 76 GLU CG C 13 36.55 0.2 . 1 . . . . . . . . . 5565 1 911 . 1 1 76 76 GLU N N 15 121.27 0.2 . 1 . . . . . . . . . 5565 1 912 . 1 1 77 77 LYS H H 1 8.62 0.2 . 1 . . . . . . . . . 5565 1 913 . 1 1 77 77 LYS HA H 1 3.83 0.2 . 1 . . . . . . . . . 5565 1 914 . 1 1 77 77 LYS HB2 H 1 1.79 0.2 . 1 . . . . . . . . . 5565 1 915 . 1 1 77 77 LYS HB3 H 1 1.79 0.2 . 1 . . . . . . . . . 5565 1 916 . 1 1 77 77 LYS HG2 H 1 1.17 0.2 . 2 . . . . . . . . . 5565 1 917 . 1 1 77 77 LYS HG3 H 1 0.98 0.2 . 2 . . . . . . . . . 5565 1 918 . 1 1 77 77 LYS HD2 H 1 1.54 0.2 . 1 . . . . . . . . . 5565 1 919 . 1 1 77 77 LYS HD3 H 1 1.54 0.2 . 1 . . . . . . . . . 5565 1 920 . 1 1 77 77 LYS C C 13 178.82 0.2 . 1 . . . . . . . . . 5565 1 921 . 1 1 77 77 LYS CA C 13 58.73 0.2 . 1 . . . . . . . . . 5565 1 922 . 1 1 77 77 LYS CB C 13 31.88 0.2 . 1 . . . . . . . . . 5565 1 923 . 1 1 77 77 LYS CG C 13 26.07 0.2 . 1 . . . . . . . . . 5565 1 924 . 1 1 77 77 LYS CD C 13 28.74 0.2 . 1 . . . . . . . . . 5565 1 925 . 1 1 77 77 LYS CE C 13 41.32 0.2 . 1 . . . . . . . . . 5565 1 926 . 1 1 77 77 LYS N N 15 121.9 0.2 . 1 . . . . . . . . . 5565 1 927 . 1 1 78 78 LYS H H 1 8.17 0.2 . 1 . . . . . . . . . 5565 1 928 . 1 1 78 78 LYS HA H 1 4.19 0.2 . 1 . . . . . . . . . 5565 1 929 . 1 1 78 78 LYS HB2 H 1 1.86 0.2 . 2 . . . . . . . . . 5565 1 930 . 1 1 78 78 LYS HB3 H 1 1.76 0.2 . 2 . . . . . . . . . 5565 1 931 . 1 1 78 78 LYS HG2 H 1 1.42 0.2 . 1 . . . . . . . . . 5565 1 932 . 1 1 78 78 LYS HG3 H 1 1.42 0.2 . 1 . . . . . . . . . 5565 1 933 . 1 1 78 78 LYS HD2 H 1 1.66 0.2 . 1 . . . . . . . . . 5565 1 934 . 1 1 78 78 LYS HD3 H 1 1.66 0.2 . 1 . . . . . . . . . 5565 1 935 . 1 1 78 78 LYS C C 13 176.19 0.2 . 1 . . . . . . . . . 5565 1 936 . 1 1 78 78 LYS CA C 13 55.67 0.2 . 1 . . . . . . . . . 5565 1 937 . 1 1 78 78 LYS CB C 13 31.73 0.2 . 1 . . . . . . . . . 5565 1 938 . 1 1 78 78 LYS CG C 13 24.03 0.2 . 1 . . . . . . . . . 5565 1 939 . 1 1 78 78 LYS CD C 13 28.16 0.2 . 1 . . . . . . . . . 5565 1 940 . 1 1 78 78 LYS CE C 13 41.06 0.2 . 1 . . . . . . . . . 5565 1 941 . 1 1 78 78 LYS N N 15 113.77 0.2 . 1 . . . . . . . . . 5565 1 942 . 1 1 79 79 ASP H H 1 6.65 0.2 . 1 . . . . . . . . . 5565 1 943 . 1 1 79 79 ASP HA H 1 4.84 0.2 . 1 . . . . . . . . . 5565 1 944 . 1 1 79 79 ASP HB2 H 1 2.87 0.2 . 2 . . . . . . . . . 5565 1 945 . 1 1 79 79 ASP HB3 H 1 2.43 0.2 . 2 . . . . . . . . . 5565 1 946 . 1 1 79 79 ASP C C 13 172.28 0.2 . 1 . . . . . . . . . 5565 1 947 . 1 1 79 79 ASP CA C 13 50.64 0.2 . 1 . . . . . . . . . 5565 1 948 . 1 1 79 79 ASP CB C 13 40.29 0.2 . 1 . . . . . . . . . 5565 1 949 . 1 1 79 79 ASP N N 15 113.77 0.2 . 1 . . . . . . . . . 5565 1 950 . 1 1 80 80 PRO HA H 1 4.52 0.2 . 1 . . . . . . . . . 5565 1 951 . 1 1 80 80 PRO HB2 H 1 2.22 0.2 . 2 . . . . . . . . . 5565 1 952 . 1 1 80 80 PRO HB3 H 1 1.94 0.2 . 2 . . . . . . . . . 5565 1 953 . 1 1 80 80 PRO HG2 H 1 1.9 0.2 . 1 . . . . . . . . . 5565 1 954 . 1 1 80 80 PRO HG3 H 1 1.9 0.2 . 1 . . . . . . . . . 5565 1 955 . 1 1 80 80 PRO HD2 H 1 3.77 0.2 . 2 . . . . . . . . . 5565 1 956 . 1 1 80 80 PRO HD3 H 1 3.43 0.2 . 2 . . . . . . . . . 5565 1 957 . 1 1 80 80 PRO C C 13 176.36 0.2 . 1 . . . . . . . . . 5565 1 958 . 1 1 80 80 PRO CA C 13 62.56 0.2 . 1 . . . . . . . . . 5565 1 959 . 1 1 80 80 PRO CB C 13 30.92 0.2 . 1 . . . . . . . . . 5565 1 960 . 1 1 80 80 PRO CG C 13 25.92 0.2 . 1 . . . . . . . . . 5565 1 961 . 1 1 80 80 PRO CD C 13 49.42 0.2 . 1 . . . . . . . . . 5565 1 962 . 1 1 81 81 GLY H H 1 8.09 0.2 . 1 . . . . . . . . . 5565 1 963 . 1 1 81 81 GLY HA2 H 1 3.61 0.2 . 2 . . . . . . . . . 5565 1 964 . 1 1 81 81 GLY HA3 H 1 4.11 0.2 . 2 . . . . . . . . . 5565 1 965 . 1 1 81 81 GLY C C 13 173.92 0.2 . 1 . . . . . . . . . 5565 1 966 . 1 1 81 81 GLY CA C 13 44.34 0.2 . 1 . . . . . . . . . 5565 1 967 . 1 1 81 81 GLY N N 15 105.02 0.2 . 1 . . . . . . . . . 5565 1 968 . 1 1 82 82 LYS H H 1 8.17 0.2 . 1 . . . . . . . . . 5565 1 969 . 1 1 82 82 LYS HA H 1 4.6 0.2 . 1 . . . . . . . . . 5565 1 970 . 1 1 82 82 LYS HB2 H 1 1.81 0.2 . 2 . . . . . . . . . 5565 1 971 . 1 1 82 82 LYS HB3 H 1 1.71 0.2 . 2 . . . . . . . . . 5565 1 972 . 1 1 82 82 LYS HG2 H 1 1.31 0.2 . 1 . . . . . . . . . 5565 1 973 . 1 1 82 82 LYS HG3 H 1 1.31 0.2 . 1 . . . . . . . . . 5565 1 974 . 1 1 82 82 LYS HD2 H 1 1.6 0.2 . 1 . . . . . . . . . 5565 1 975 . 1 1 82 82 LYS HD3 H 1 1.6 0.2 . 1 . . . . . . . . . 5565 1 976 . 1 1 82 82 LYS C C 13 175.27 0.2 . 1 . . . . . . . . . 5565 1 977 . 1 1 82 82 LYS CA C 13 53.86 0.2 . 1 . . . . . . . . . 5565 1 978 . 1 1 82 82 LYS CB C 13 32.96 0.2 . 1 . . . . . . . . . 5565 1 979 . 1 1 82 82 LYS CG C 13 23.87 0.2 . 1 . . . . . . . . . 5565 1 980 . 1 1 82 82 LYS CD C 13 27.93 0.2 . 1 . . . . . . . . . 5565 1 981 . 1 1 82 82 LYS CE C 13 41.36 0.2 . 1 . . . . . . . . . 5565 1 982 . 1 1 82 82 LYS N N 15 123.15 0.2 . 1 . . . . . . . . . 5565 1 983 . 1 1 83 83 THR H H 1 8.1 0.2 . 1 . . . . . . . . . 5565 1 984 . 1 1 83 83 THR HA H 1 4.71 0.2 . 1 . . . . . . . . . 5565 1 985 . 1 1 83 83 THR HB H 1 4.28 0.2 . 1 . . . . . . . . . 5565 1 986 . 1 1 83 83 THR HG21 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1 987 . 1 1 83 83 THR HG22 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1 988 . 1 1 83 83 THR HG23 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1 989 . 1 1 83 83 THR C C 13 175.21 0.2 . 1 . . . . . . . . . 5565 1 990 . 1 1 83 83 THR CA C 13 60.6 0.2 . 1 . . . . . . . . . 5565 1 991 . 1 1 83 83 THR CB C 13 69.22 0.2 . 1 . . . . . . . . . 5565 1 992 . 1 1 83 83 THR CG2 C 13 21.37 0.2 . 1 . . . . . . . . . 5565 1 993 . 1 1 83 83 THR N N 15 115.02 0.2 . 1 . . . . . . . . . 5565 1 994 . 1 1 84 84 CYS H H 1 8.02 0.2 . 1 . . . . . . . . . 5565 1 995 . 1 1 84 84 CYS HA H 1 4.84 0.2 . 1 . . . . . . . . . 5565 1 996 . 1 1 84 84 CYS HB2 H 1 3.18 0.2 . 2 . . . . . . . . . 5565 1 997 . 1 1 84 84 CYS HB3 H 1 2.97 0.2 . 2 . . . . . . . . . 5565 1 998 . 1 1 84 84 CYS C C 13 172.79 0.2 . 1 . . . . . . . . . 5565 1 999 . 1 1 84 84 CYS CA C 13 53.7 0.2 . 1 . . . . . . . . . 5565 1 1000 . 1 1 84 84 CYS CB C 13 46.72 0.2 . 1 . . . . . . . . . 5565 1 1001 . 1 1 84 84 CYS N N 15 119.4 0.2 . 1 . . . . . . . . . 5565 1 1002 . 1 1 85 85 ASP H H 1 8.36 0.2 . 1 . . . . . . . . . 5565 1 1003 . 1 1 85 85 ASP HA H 1 4.48 0.2 . 1 . . . . . . . . . 5565 1 1004 . 1 1 85 85 ASP HB2 H 1 2.57 0.2 . 2 . . . . . . . . . 5565 1 1005 . 1 1 85 85 ASP HB3 H 1 2.46 0.2 . 2 . . . . . . . . . 5565 1 1006 . 1 1 85 85 ASP C C 13 178.11 0.2 . 1 . . . . . . . . . 5565 1 1007 . 1 1 85 85 ASP CA C 13 54.01 0.2 . 1 . . . . . . . . . 5565 1 1008 . 1 1 85 85 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . . 5565 1 1009 . 1 1 85 85 ASP N N 15 121.27 0.2 . 1 . . . . . . . . . 5565 1 1010 . 1 1 86 86 VAL H H 1 8.05 0.2 . 1 . . . . . . . . . 5565 1 1011 . 1 1 86 86 VAL HA H 1 4.16 0.2 . 1 . . . . . . . . . 5565 1 1012 . 1 1 86 86 VAL HB H 1 1.98 0.2 . 1 . . . . . . . . . 5565 1 1013 . 1 1 86 86 VAL HG11 H 1 0.41 0.2 . 2 . . . . . . . . . 5565 1 1014 . 1 1 86 86 VAL HG12 H 1 0.41 0.2 . 2 . . . . . . . . . 5565 1 1015 . 1 1 86 86 VAL HG13 H 1 0.41 0.2 . 2 . . . . . . . . . 5565 1 1016 . 1 1 86 86 VAL HG21 H 1 0.59 0.2 . 2 . . . . . . . . . 5565 1 1017 . 1 1 86 86 VAL HG22 H 1 0.59 0.2 . 2 . . . . . . . . . 5565 1 1018 . 1 1 86 86 VAL HG23 H 1 0.59 0.2 . 2 . . . . . . . . . 5565 1 1019 . 1 1 86 86 VAL C C 13 176.45 0.2 . 1 . . . . . . . . . 5565 1 1020 . 1 1 86 86 VAL CA C 13 60.07 0.2 . 1 . . . . . . . . . 5565 1 1021 . 1 1 86 86 VAL CB C 13 33.82 0.2 . 1 . . . . . . . . . 5565 1 1022 . 1 1 86 86 VAL CG1 C 13 20.8 0.2 . 1 . . . . . . . . . 5565 1 1023 . 1 1 86 86 VAL CG2 C 13 20.8 0.2 . 1 . . . . . . . . . 5565 1 1024 . 1 1 86 86 VAL N N 15 118.77 0.2 . 1 . . . . . . . . . 5565 1 1025 . 1 1 87 87 THR H H 1 8.14 0.2 . 1 . . . . . . . . . 5565 1 1026 . 1 1 87 87 THR HA H 1 4.32 0.2 . 1 . . . . . . . . . 5565 1 1027 . 1 1 87 87 THR HB H 1 4.32 0.2 . 1 . . . . . . . . . 5565 1 1028 . 1 1 87 87 THR HG21 H 1 1.12 0.2 . 1 . . . . . . . . . 5565 1 1029 . 1 1 87 87 THR HG22 H 1 1.12 0.2 . 1 . . . . . . . . . 5565 1 1030 . 1 1 87 87 THR HG23 H 1 1.12 0.2 . 1 . . . . . . . . . 5565 1 1031 . 1 1 87 87 THR C C 13 174.67 0.2 . 1 . . . . . . . . . 5565 1 1032 . 1 1 87 87 THR CA C 13 61.97 0.2 . 1 . . . . . . . . . 5565 1 1033 . 1 1 87 87 THR CB C 13 68.25 0.2 . 1 . . . . . . . . . 5565 1 1034 . 1 1 87 87 THR CG2 C 13 20.87 0.2 . 1 . . . . . . . . . 5565 1 1035 . 1 1 87 87 THR N N 15 115.65 0.2 . 1 . . . . . . . . . 5565 1 1036 . 1 1 88 88 GLY H H 1 7.49 0.2 . 1 . . . . . . . . . 5565 1 1037 . 1 1 88 88 GLY HA2 H 1 3.72 0.2 . 2 . . . . . . . . . 5565 1 1038 . 1 1 88 88 GLY HA3 H 1 4.11 0.2 . 2 . . . . . . . . . 5565 1 1039 . 1 1 88 88 GLY C C 13 170.33 0.2 . 1 . . . . . . . . . 5565 1 1040 . 1 1 88 88 GLY CA C 13 44.51 0.2 . 1 . . . . . . . . . 5565 1 1041 . 1 1 88 88 GLY N N 15 110.02 0.2 . 1 . . . . . . . . . 5565 1 1042 . 1 1 89 89 TRP H H 1 7.99 0.2 . 1 . . . . . . . . . 5565 1 1043 . 1 1 89 89 TRP HA H 1 5.12 0.2 . 1 . . . . . . . . . 5565 1 1044 . 1 1 89 89 TRP HB2 H 1 2.9 0.2 . 2 . . . . . . . . . 5565 1 1045 . 1 1 89 89 TRP HB3 H 1 2.81 0.2 . 2 . . . . . . . . . 5565 1 1046 . 1 1 89 89 TRP HE1 H 1 10.09 0.2 . 1 . . . . . . . . . 5565 1 1047 . 1 1 89 89 TRP HD1 H 1 7.05 0.2 . 1 . . . . . . . . . 5565 1 1048 . 1 1 89 89 TRP HE3 H 1 7.21 0.2 . 1 . . . . . . . . . 5565 1 1049 . 1 1 89 89 TRP HZ3 H 1 7.22 0.2 . 1 . . . . . . . . . 5565 1 1050 . 1 1 89 89 TRP HH2 H 1 7.19 0.2 . 1 . . . . . . . . . 5565 1 1051 . 1 1 89 89 TRP HZ2 H 1 7.45 0.2 . 1 . . . . . . . . . 5565 1 1052 . 1 1 89 89 TRP C C 13 176.03 0.2 . 1 . . . . . . . . . 5565 1 1053 . 1 1 89 89 TRP CA C 13 55.15 0.2 . 1 . . . . . . . . . 5565 1 1054 . 1 1 89 89 TRP CB C 13 31.4 0.2 . 1 . . . . . . . . . 5565 1 1055 . 1 1 89 89 TRP CD1 C 13 127.06 0.2 . 1 . . . . . . . . . 5565 1 1056 . 1 1 89 89 TRP CE3 C 13 119.62 0.2 . 1 . . . . . . . . . 5565 1 1057 . 1 1 89 89 TRP CZ3 C 13 120.19 0.2 . 1 . . . . . . . . . 5565 1 1058 . 1 1 89 89 TRP CH2 C 13 120.19 0.2 . 1 . . . . . . . . . 5565 1 1059 . 1 1 89 89 TRP CZ2 C 13 114.73 0.2 . 1 . . . . . . . . . 5565 1 1060 . 1 1 89 89 TRP N N 15 118.15 0.2 . 1 . . . . . . . . . 5565 1 1061 . 1 1 89 89 TRP NE1 N 15 129.86 0.2 . 1 . . . . . . . . . 5565 1 1062 . 1 1 90 90 VAL H H 1 9.24 0.2 . 1 . . . . . . . . . 5565 1 1063 . 1 1 90 90 VAL HA H 1 4.27 0.2 . 1 . . . . . . . . . 5565 1 1064 . 1 1 90 90 VAL HB H 1 2.01 0.2 . 1 . . . . . . . . . 5565 1 1065 . 1 1 90 90 VAL HG11 H 1 0.83 0.2 . 1 . . . . . . . . . 5565 1 1066 . 1 1 90 90 VAL HG12 H 1 0.83 0.2 . 1 . . . . . . . . . 5565 1 1067 . 1 1 90 90 VAL HG13 H 1 0.83 0.2 . 1 . . . . . . . . . 5565 1 1068 . 1 1 90 90 VAL HG21 H 1 0.83 0.2 . 1 . . . . . . . . . 5565 1 1069 . 1 1 90 90 VAL HG22 H 1 0.83 0.2 . 1 . . . . . . . . . 5565 1 1070 . 1 1 90 90 VAL HG23 H 1 0.83 0.2 . 1 . . . . . . . . . 5565 1 1071 . 1 1 90 90 VAL C C 13 174.5 0.2 . 1 . . . . . . . . . 5565 1 1072 . 1 1 90 90 VAL CA C 13 61.07 0.2 . 1 . . . . . . . . . 5565 1 1073 . 1 1 90 90 VAL CB C 13 33.01 0.2 . 1 . . . . . . . . . 5565 1 1074 . 1 1 90 90 VAL CG1 C 13 20.13 0.2 . 1 . . . . . . . . . 5565 1 1075 . 1 1 90 90 VAL CG2 C 13 20.13 0.2 . 1 . . . . . . . . . 5565 1 1076 . 1 1 90 90 VAL N N 15 123.77 0.2 . 1 . . . . . . . . . 5565 1 1077 . 1 1 91 91 LEU H H 1 7.94 0.2 . 1 . . . . . . . . . 5565 1 1078 . 1 1 91 91 LEU HA H 1 4.29 0.2 . 1 . . . . . . . . . 5565 1 1079 . 1 1 91 91 LEU HB2 H 1 1.53 0.2 . 1 . . . . . . . . . 5565 1 1080 . 1 1 91 91 LEU HB3 H 1 1.53 0.2 . 1 . . . . . . . . . 5565 1 1081 . 1 1 91 91 LEU HG H 1 1.56 0.2 . 1 . . . . . . . . . 5565 1 1082 . 1 1 91 91 LEU HD11 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1 1083 . 1 1 91 91 LEU HD12 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1 1084 . 1 1 91 91 LEU HD13 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1 1085 . 1 1 91 91 LEU HD21 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1 1086 . 1 1 91 91 LEU HD22 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1 1087 . 1 1 91 91 LEU HD23 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1 1088 . 1 1 91 91 LEU C C 13 181.65 0.2 . 1 . . . . . . . . . 5565 1 1089 . 1 1 91 91 LEU CA C 13 55.68 0.2 . 1 . . . . . . . . . 5565 1 1090 . 1 1 91 91 LEU CB C 13 43.15 0.2 . 1 . . . . . . . . . 5565 1 1091 . 1 1 91 91 LEU CG C 13 26.05 0.2 . 1 . . . . . . . . . 5565 1 1092 . 1 1 91 91 LEU CD1 C 13 23.55 0.2 . 1 . . . . . . . . . 5565 1 1093 . 1 1 91 91 LEU CD2 C 13 23.55 0.2 . 1 . . . . . . . . . 5565 1 1094 . 1 1 91 91 LEU N N 15 131.9 0.2 . 1 . . . . . . . . . 5565 1 stop_ save_